2025-08-31T09:25:13,758 Created temporary directory: /tmp/pip-build-tracker-3dilko_p
2025-08-31T09:25:13,759 Initialized build tracking at /tmp/pip-build-tracker-3dilko_p
2025-08-31T09:25:13,760 Created build tracker: /tmp/pip-build-tracker-3dilko_p
2025-08-31T09:25:13,760 Entered build tracker: /tmp/pip-build-tracker-3dilko_p
2025-08-31T09:25:13,761 Created temporary directory: /tmp/pip-wheel-ttkdbmxo
2025-08-31T09:25:13,765 Created temporary directory: /tmp/pip-ephem-wheel-cache-jn00b2mf
2025-08-31T09:25:13,818 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple
2025-08-31T09:25:13,820 2 location(s) to search for versions of xcbm:
2025-08-31T09:25:13,820 * https://pypi.org/simple/xcbm/
2025-08-31T09:25:13,820 * https://www.piwheels.org/simple/xcbm/
2025-08-31T09:25:13,821 Fetching project page and analyzing links: https://pypi.org/simple/xcbm/
2025-08-31T09:25:13,822 Getting page https://pypi.org/simple/xcbm/
2025-08-31T09:25:13,823 Found index url https://pypi.org/simple/
2025-08-31T09:25:13,971 Fetched page https://pypi.org/simple/xcbm/ as application/vnd.pypi.simple.v1+json
2025-08-31T09:25:13,973   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)
2025-08-31T09:25:13,974   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
2025-08-31T09:25:13,975   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)
2025-08-31T09:25:13,976   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
2025-08-31T09:25:13,976   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)
2025-08-31T09:25:13,977   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
2025-08-31T09:25:13,978   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)
2025-08-31T09:25:13,978   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
2025-08-31T09:25:13,979   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)
2025-08-31T09:25:13,979   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
2025-08-31T09:25:13,980   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)
2025-08-31T09:25:13,981   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
2025-08-31T09:25:13,981   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)
2025-08-31T09:25:13,982   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
2025-08-31T09:25:13,983 Fetching project page and analyzing links: https://www.piwheels.org/simple/xcbm/
2025-08-31T09:25:13,983 Getting page https://www.piwheels.org/simple/xcbm/
2025-08-31T09:25:13,985 Found index url https://www.piwheels.org/simple/
2025-08-31T09:25:14,168 Fetched page https://www.piwheels.org/simple/xcbm/ as text/html
2025-08-31T09:25:14,171   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)
2025-08-31T09:25:14,171   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)
2025-08-31T09:25:14,172   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)
2025-08-31T09:25:14,172   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)
2025-08-31T09:25:14,173 Skipping link: not a file: https://www.piwheels.org/simple/xcbm/
2025-08-31T09:25:14,174 Skipping link: not a file: https://pypi.org/simple/xcbm/
2025-08-31T09:25:14,194 Given no hashes to check 1 links for project 'xcbm': discarding no candidates
2025-08-31T09:25:14,196 Collecting xcbm==0.1.5
2025-08-31T09:25:14,198   Created temporary directory: /tmp/pip-unpack-kyl6jszg
2025-08-31T09:25:14,438   Downloading xcbm-0.1.5.tar.gz (4.1 MB)
2025-08-31T09:25:53,681   Added xcbm==0.1.5 from https://files.pythonhosted.org/packages/bc/9d/4c6aba01828b0d700194dc90082f168d8553d8282d74eaff432dc5e2c2e6/xcbm-0.1.5.tar.gz to build tracker '/tmp/pip-build-tracker-3dilko_p'
2025-08-31T09:25:53,684   Created temporary directory: /tmp/pip-build-env-0nhkbqmu
2025-08-31T09:25:53,689   Installing build dependencies: started
2025-08-31T09:25:53,690   Running command pip subprocess to install build dependencies
2025-08-31T09:25:54,931   Using pip 25.2 from /usr/local/lib/python3.11/dist-packages/pip (python 3.11)
2025-08-31T09:25:54,931   Non-user install by explicit request
2025-08-31T09:25:55,443   Created build tracker: /tmp/pip-build-tracker-3dilko_p
2025-08-31T09:25:55,445   Entered build tracker: /tmp/pip-build-tracker-3dilko_p
2025-08-31T09:25:55,454   Created temporary directory: /tmp/pip-install-is9y7d_z
2025-08-31T09:25:55,461   Created temporary directory: /tmp/pip-ephem-wheel-cache-a2ayjh1t
2025-08-31T09:25:55,520   Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple
2025-08-31T09:25:55,523   2 location(s) to search for versions of setuptools:
2025-08-31T09:25:55,524   * https://pypi.org/simple/setuptools/
2025-08-31T09:25:55,524   * https://www.piwheels.org/simple/setuptools/
2025-08-31T09:25:55,525   Fetching project page and analyzing links: https://pypi.org/simple/setuptools/
2025-08-31T09:25:55,526   Getting page https://pypi.org/simple/setuptools/
2025-08-31T09:25:55,529   Found index url https://pypi.org/simple/
2025-08-31T09:25:55,532   Looking up "https://pypi.org/simple/setuptools/" in the cache
2025-08-31T09:25:55,533   Request header has "max_age" as 0, cache bypassed
2025-08-31T09:25:55,538   Starting new HTTPS connection (1): pypi.org:443
2025-08-31T09:25:55,687   https://pypi.org:443 "GET /simple/setuptools/ HTTP/1.1" 304 0
2025-08-31T09:25:55,709   Fetched page https://pypi.org/simple/setuptools/ as application/vnd.pypi.simple.v1+json
2025-08-31T09:25:55,866     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/)
2025-08-31T09:25:55,866     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/)
2025-08-31T09:25:55,867     Found link https://files.pythonhosted.org/packages/82/cb/906d051fdf1c8b7703d288d3cc44ff32746090378f7f8539c8476a21ce9a/setuptools-0.6b1.zip (from https://pypi.org/simple/setuptools/), version: 0.6b1
2025-08-31T09:25:55,868     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/)
2025-08-31T09:25:55,869     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/)
2025-08-31T09:25:55,870     Found link https://files.pythonhosted.org/packages/0e/3b/53daeaf6623a2bab3d3c40b19a35ff5bd7c4e1fbad2f537a61c1fe8c5069/setuptools-0.6b2.zip (from https://pypi.org/simple/setuptools/), version: 0.6b2
2025-08-31T09:25:55,871     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/)
2025-08-31T09:25:55,872     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/)
2025-08-31T09:25:55,872     Found link https://files.pythonhosted.org/packages/ff/33/635de67bf3010651ba8db9d8064721274bfb6fbb778a110089f34beabaf2/setuptools-0.6b3.zip (from https://pypi.org/simple/setuptools/), version: 0.6b3
2025-08-31T09:25:55,873     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/)
2025-08-31T09:25:55,874     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/)
2025-08-31T09:25:55,875     Found link https://files.pythonhosted.org/packages/82/be/b2e51157a4debc4ebcab179aeb839948a0f02ce06cbc7749c8ab866c0aa9/setuptools-0.6b4.zip (from https://pypi.org/simple/setuptools/), version: 0.6b4
2025-08-31T09:25:55,876     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/)
2025-08-31T09:25:55,877     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/)
2025-08-31T09:25:55,877     Found link https://files.pythonhosted.org/packages/4e/2d/555dc3106b42c977a2f7c7e6f28e5b3104c9bd9306005d304d2ddc1c6587/setuptools-0.6c1.zip (from https://pypi.org/simple/setuptools/), version: 0.6c1
2025-08-31T09:25:55,878     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/)
2025-08-31T09:25:55,879     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/)
2025-08-31T09:25:55,880     Found link https://files.pythonhosted.org/packages/e3/dd/5ccc0dd99d67675bda31bfb1e5be1460f908b9e3e475660bdcb98aea5f36/setuptools-0.6c2.zip (from https://pypi.org/simple/setuptools/), version: 0.6c2
2025-08-31T09:25:55,881     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/)
2025-08-31T09:25:55,882     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/)
2025-08-31T09:25:55,882     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/)
2025-08-31T09:25:55,883     Found link https://files.pythonhosted.org/packages/01/21/d4c5b856d702d0c6e3a615061d0b6e7101c375ceb664126583de863b4181/setuptools-0.6c3.tar.gz (from https://pypi.org/simple/setuptools/), version: 0.6c3
2025-08-31T09:25:55,884     Found link https://files.pythonhosted.org/packages/69/d7/a22dd38ff4811beaaa7089825dc38a34f47818f25c7025b1caab4e67b54b/setuptools-0.6c3.zip (from https://pypi.org/simple/setuptools/), version: 0.6c3
2025-08-31T09:25:55,885     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/)
2025-08-31T09:25:55,886     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/)
2025-08-31T09:25:55,887     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/)
2025-08-31T09:25:55,887     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/)
2025-08-31T09:25:55,888     Found link https://files.pythonhosted.org/packages/73/57/a910b32ea2131b5d8f7a2ff106e5a1c47b0cad4baed171ca12ffa5613c39/setuptools-0.6c4.tar.gz (from https://pypi.org/simple/setuptools/), version: 0.6c4
2025-08-31T09:25:55,889     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/)
2025-08-31T09:25:55,890     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/)
2025-08-31T09:25:55,891     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/)
2025-08-31T09:25:55,891     Found link https://files.pythonhosted.org/packages/7e/2d/926f4536e819fa93d7a4aeb0910849387c1234b865310aee40289e457012/setuptools-0.6c4.zip (from https://pypi.org/simple/setuptools/), version: 0.6c4
2025-08-31T09:25:55,892     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/)
2025-08-31T09:25:55,893     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/)
2025-08-31T09:25:55,894     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/)
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2025-08-31T09:25:58,261     Found link https://archive1.piwheels.org/simple/setuptools/setuptools-1.1-py2.py3-none-any.whl#sha256=d5b91db3ddfd99ed5ccdccbfedd2e0f0d0b4b18f15a96f01f6970a42cf06cf7c (from https://www.piwheels.org/simple/setuptools/), version: 1.1
2025-08-31T09:25:58,262     Found link https://archive1.piwheels.org/simple/setuptools/setuptools-1.0-py2.py3-none-any.whl#sha256=51599758af4090dd95abc67815806e7af4a85dc533452a6f31a66f98e8927afd (from https://www.piwheels.org/simple/setuptools/), version: 1.0
2025-08-31T09:25:58,263     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
2025-08-31T09:25:58,264     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
2025-08-31T09:25:58,265     Found link https://archive1.piwheels.org/simple/setuptools/setuptools-0.9.5-py3-none-any.whl#sha256=022f89fe01d35ce6630a20130d7456e71e5ba95d656e1d7df5cbdb6c83445886 (from https://www.piwheels.org/simple/setuptools/), version: 0.9.5
2025-08-31T09:25:58,266     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
2025-08-31T09:25:58,267   Skipping link: not a file: https://www.piwheels.org/simple/setuptools/
2025-08-31T09:25:58,268   Skipping link: not a file: https://pypi.org/simple/setuptools/
2025-08-31T09:25:58,484   Given no hashes to check 833 links for project 'setuptools': discarding no candidates
2025-08-31T09:25:58,619   Collecting setuptools>=40.8.0
2025-08-31T09:25:58,621     Created temporary directory: /tmp/pip-unpack-34er41xv
2025-08-31T09:25:58,622     Found index url https://www.piwheels.org/simple/
2025-08-31T09:25:58,624     Looking up "https://www.piwheels.org/simple/setuptools/setuptools-80.9.0-py3-none-any.whl" in the cache
2025-08-31T09:25:58,627     Current age based on date: 64
2025-08-31T09:25:58,634     https://www.piwheels.org:443 "GET /simple/setuptools/setuptools-80.9.0-py3-none-any.whl HTTP/1.1" 304 0
2025-08-31T09:25:58,639     Using cached https://www.piwheels.org/simple/setuptools/setuptools-80.9.0-py3-none-any.whl (1.2 MB)
2025-08-31T09:25:58,733   Created temporary directory: /tmp/pip-unpack-h42bq8ww
2025-08-31T09:25:59,573   Installing collected packages: setuptools
2025-08-31T09:26:00,497   Successfully installed setuptools-80.9.0
2025-08-31T09:26:00,498   Removed build tracker: '/tmp/pip-build-tracker-3dilko_p'
2025-08-31T09:26:00,716   Installing build dependencies: finished with status 'done'
2025-08-31T09:26:00,720   Getting requirements to build wheel: started
2025-08-31T09:26:00,722   Running command Getting requirements to build wheel
2025-08-31T09:26:09,051   running egg_info
2025-08-31T09:26:09,058   writing xcbm.egg-info/PKG-INFO
2025-08-31T09:26:09,061   writing dependency_links to xcbm.egg-info/dependency_links.txt
2025-08-31T09:26:09,073   writing top-level names to xcbm.egg-info/top_level.txt
2025-08-31T09:26:49,752   reading manifest file 'xcbm.egg-info/SOURCES.txt'
2025-08-31T09:26:50,690   adding license file 'LICENSE'
2025-08-31T09:26:51,726   writing manifest file 'xcbm.egg-info/SOURCES.txt'
2025-08-31T09:26:51,889   Getting requirements to build wheel: finished with status 'done'
2025-08-31T09:26:51,892   Created temporary directory: /tmp/pip-modern-metadata-5x1y_y1k
2025-08-31T09:26:51,895   Preparing metadata (pyproject.toml): started
2025-08-31T09:26:51,896   Running command Preparing metadata (pyproject.toml)
2025-08-31T09:26:56,965   running dist_info
2025-08-31T09:26:56,978   creating /tmp/pip-modern-metadata-5x1y_y1k/xcbm.egg-info
2025-08-31T09:26:56,979   writing /tmp/pip-modern-metadata-5x1y_y1k/xcbm.egg-info/PKG-INFO
2025-08-31T09:26:56,982   writing dependency_links to /tmp/pip-modern-metadata-5x1y_y1k/xcbm.egg-info/dependency_links.txt
2025-08-31T09:26:56,993   writing top-level names to /tmp/pip-modern-metadata-5x1y_y1k/xcbm.egg-info/top_level.txt
2025-08-31T09:26:56,995   writing manifest file '/tmp/pip-modern-metadata-5x1y_y1k/xcbm.egg-info/SOURCES.txt'
2025-08-31T09:27:25,699   reading manifest file '/tmp/pip-modern-metadata-5x1y_y1k/xcbm.egg-info/SOURCES.txt'
2025-08-31T09:27:25,701   adding license file 'LICENSE'
2025-08-31T09:27:26,332   writing manifest file '/tmp/pip-modern-metadata-5x1y_y1k/xcbm.egg-info/SOURCES.txt'
2025-08-31T09:27:26,358   creating '/tmp/pip-modern-metadata-5x1y_y1k/xcbm-0.1.5.dist-info'
2025-08-31T09:27:26,524   Preparing metadata (pyproject.toml): finished with status 'done'
2025-08-31T09:27:26,529   Source in /tmp/pip-wheel-ttkdbmxo/xcbm_67728e22be3a4ddd8c648ce62d5309d5 has version 0.1.5, which satisfies requirement xcbm==0.1.5 from https://files.pythonhosted.org/packages/bc/9d/4c6aba01828b0d700194dc90082f168d8553d8282d74eaff432dc5e2c2e6/xcbm-0.1.5.tar.gz
2025-08-31T09:27:26,530   Removed xcbm==0.1.5 from https://files.pythonhosted.org/packages/bc/9d/4c6aba01828b0d700194dc90082f168d8553d8282d74eaff432dc5e2c2e6/xcbm-0.1.5.tar.gz from build tracker '/tmp/pip-build-tracker-3dilko_p'
2025-08-31T09:27:26,534 Created temporary directory: /tmp/pip-unpack-ql9k0jte
2025-08-31T09:27:26,535 Created temporary directory: /tmp/pip-unpack-z43ffh2o
2025-08-31T09:27:26,536 Building wheels for collected packages: xcbm
2025-08-31T09:27:26,540   Created temporary directory: /tmp/pip-wheel-82153s6d
2025-08-31T09:27:26,541   Destination directory: /tmp/pip-wheel-82153s6d
2025-08-31T09:27:26,543   Building wheel for xcbm (pyproject.toml): started
2025-08-31T09:27:26,544   Running command Building wheel for xcbm (pyproject.toml)
2025-08-31T09:27:30,469   running bdist_wheel
2025-08-31T09:27:30,492   running build
2025-08-31T09:27:30,492   running build_py
2025-08-31T09:27:30,499   creating build/lib/xcbm
2025-08-31T09:27:30,501   copying xcbm/GMTKN55.py -> build/lib/xcbm
2025-08-31T09:27:30,504   copying xcbm/MGCDB84.py -> build/lib/xcbm
2025-08-31T09:27:30,507   creating build/lib/xcbm/Input_Scripts
2025-08-31T09:27:30,508   copying xcbm/Input_Scripts/calc_GMTKN55.py -> build/lib/xcbm/Input_Scripts
2025-08-31T09:27:30,510   copying xcbm/Input_Scripts/calc_MGCDB84.py -> build/lib/xcbm/Input_Scripts
2025-08-31T09:27:35,702   running egg_info
2025-08-31T09:27:35,714   writing xcbm.egg-info/PKG-INFO
2025-08-31T09:27:35,717   writing dependency_links to xcbm.egg-info/dependency_links.txt
2025-08-31T09:27:35,728   writing top-level names to xcbm.egg-info/top_level.txt
2025-08-31T09:28:03,030   reading manifest file 'xcbm.egg-info/SOURCES.txt'
2025-08-31T09:28:03,958   adding license file 'LICENSE'
2025-08-31T09:28:04,935   writing manifest file 'xcbm.egg-info/SOURCES.txt'
2025-08-31T09:28:27,526   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,528   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,531   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,534   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,536   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,539   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,542   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,545   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,547   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,550   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,553   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,556   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,559   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,561   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,564   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,567   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,570   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,572   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,575   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,578   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,581   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,583   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,586   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,589   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,592   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,594   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,597   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,600   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,603   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,605   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,608   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,611   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,613   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,616   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,619   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,622   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,624   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,627   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,630   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,633   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,636   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,638   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,641   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,644   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,647   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,649   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,652   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,655   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,658   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,660   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,663   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,666   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,669   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,671   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,674   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,676   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,679   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,682   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,685   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,687   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,690   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,693   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,696   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,699   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,701   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,704   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,707   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,709   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,712   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,715   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,718   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,720   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,723   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,726   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,729   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,731   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,734   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,737   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,739   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,742   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,745   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,748   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,750   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,753   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,756   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,759   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,762   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,764   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,767   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,770   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,773   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:28:27,775   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:27,777   copying xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:27,780   copying xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:27,782   copying xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:27,785   copying xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:27,788   copying xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:27,791   copying xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:27,794   copying xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:27,796   copying xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:28:27,799   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,800   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,803   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,806   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,809   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,811   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,814   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,817   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,820   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,822   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,825   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,828   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:28:27,830   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,832   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,835   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,838   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,841   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,843   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,846   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,849   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,852   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,854   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,857   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,860   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,863   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,865   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,868   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,871   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,873   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,876   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,879   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,881   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,884   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,887   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,889   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,892   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,895   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,898   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,901   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,903   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,906   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,909   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,912   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,914   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,917   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,920   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:28:27,923   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,924   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,928   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,930   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,933   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,936   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,939   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,941   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,944   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,947   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,949   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,952   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,955   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,957   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,960   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,963   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,966   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,969   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,971   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,974   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,976   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,979   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:28:27,981   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:27,982   copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:27,985   copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:27,987   copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:27,990   copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:27,992   copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:27,995   copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:27,997   copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,000   copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,002   copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,005   copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,007   copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,010   copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,012   copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,015   copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,017   copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,020   copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,022   copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,025   copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,027   copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,030   copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,032   copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,034   copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,037   copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,039   copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,042   copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,044   copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,047   copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,050   copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,053   copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,055   copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,058   copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,061   copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,063   copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,066   copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,068   copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,071   copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,073   copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,076   copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,078   copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,080   copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,083   copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,085   copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,087   copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,090   copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,092   copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,095   copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,097   copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,100   copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,102   copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,105   copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,107   copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,110   copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,112   copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,115   copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,117   copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,120   copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,123   copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,125   copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,128   copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,130   copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:28:28,132   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:28,134   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:28,137   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:28,139   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:28,142   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:28,144   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:28,147   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:28,149   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:28,152   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:28:28,154   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,155   copying xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,158   copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,160   copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,163   copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,165   copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,167   copying xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,170   copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,172   copying xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,175   copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,177   copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,180   copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,183   copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,185   copying xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,188   copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,190   copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,193   copying xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,196   copying xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,199   copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,201   copying xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,203   copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,206   copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,208   copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,210   copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,213   copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,215   copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,217   copying xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,220   copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,222   copying xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,225   copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,227   copying xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,230   copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,232   copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,235   copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,238   copying xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,240   copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,243   copying xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,246   copying xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,248   copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,251   copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,253   copying xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,256   copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,258   copying xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,261   copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,263   copying xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,266   copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,269   copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,271   copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,274   copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,276   copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,279   copying xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,281   copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,284   copying xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,287   copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,289   copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,291   copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,294   copying xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,296   copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,299   copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,301   copying xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,304   copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:28:28,306   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,307   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,310   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,313   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,315   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,318   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,320   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,323   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,326   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,328   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,331   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,334   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,336   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,339   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,341   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,344   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,347   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,349   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,352   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,354   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,357   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,359   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,362   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,364   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,367   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,369   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,372   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,374   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,377   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,379   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,382   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,385   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,387   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,390   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,392   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,395   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,397   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,400   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,403   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,405   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,408   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,411   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,413   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,416   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,418   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,421   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,424   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,426   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,429   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,431   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,434   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,437   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,439   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,442   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,445   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,448   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,450   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,453   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,456   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,458   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,461   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,464   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,466   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,469   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,471   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,474   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,477   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,480   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,482   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,485   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,487   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,490   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,492   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,495   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,498   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,500   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,503   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,505   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,508   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,511   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,513   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,516   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,519   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,521   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,524   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,526   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,529   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,532   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,534   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,537   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,540   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,542   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,545   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,547   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,550   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,552   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,555   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,558   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,560   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,563   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,565   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,568   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,571   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,574   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,576   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,579   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,581   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,584   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,586   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,589   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,591   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,594   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,597   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,599   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,602   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,604   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,607   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,610   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,612   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,615   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,617   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,620   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,622   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,625   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,628   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,630   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,633   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,636   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,638   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,641   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,643   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,646   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,649   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,651   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,654   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,657   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,659   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,662   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,664   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,667   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,670   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,673   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,675   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,678   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,680   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,682   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,685   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,688   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,690   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,693   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,696   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,698   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,701   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,703   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,706   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,709   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,711   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,714   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,716   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,719   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,722   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,724   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,727   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,730   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,732   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,735   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,738   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,740   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,743   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,745   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,748   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,750   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,753   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,755   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,758   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,760   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,763   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,766   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,768   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,771   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,773   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,776   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,779   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,781   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,784   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,786   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,789   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,792   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,794   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,797   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,800   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,802   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,805   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,808   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,810   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,813   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,815   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,818   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,820   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,825   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,829   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,832   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,834   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,837   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,840   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,842   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,845   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,848   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,851   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,854   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,857   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,859   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,862   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,865   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,867   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,870   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,872   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,875   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,878   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,880   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,883   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,885   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,887   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,890   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,892   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,895   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,897   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,900   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,902   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,905   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,908   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,910   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,913   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,915   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,918   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,921   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,923   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,926   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,929   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,931   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,934   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,937   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,939   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,942   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,945   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,947   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,950   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,952   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,954   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,957   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,960   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,962   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,964   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,967   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,970   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,972   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,975   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,977   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,980   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,982   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,985   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,987   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,990   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,993   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,995   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:28,998   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,000   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,003   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,005   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,008   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,011   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,013   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,016   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,018   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,021   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,023   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,026   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,028   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,031   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,033   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,036   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,038   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,041   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,043   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,046   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,048   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,051   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,053   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,056   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,058   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,061   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,063   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,066   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,068   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,071   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:28:29,073   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,075   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,077   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,080   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,082   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,085   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,087   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,090   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,092   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,095   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,097   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,100   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,102   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,105   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,107   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,110   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,112   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,115   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,117   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,120   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,123   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,125   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,128   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,131   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,134   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,136   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,139   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,141   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,144   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,146   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,149   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,151   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,153   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,156   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,158   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,161   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,163   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,166   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:28:29,168   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,170   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,173   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,175   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,178   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,181   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,183   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,186   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,188   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,191   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,193   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,196   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,199   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,201   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,204   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,207   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,209   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,212   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,214   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,217   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,219   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,222   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,224   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,227   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,229   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,232   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,234   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,237   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,240   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,242   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,245   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,247   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,250   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,253   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,256   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,258   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,261   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,263   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,266   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,269   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,271   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,274   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,277   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,279   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,282   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,284   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,287   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,289   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,292   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,294   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,297   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,299   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,302   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,305   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,307   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,310   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,313   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,315   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,318   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,321   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,323   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,326   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,329   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,331   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,334   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,337   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,339   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,342   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,345   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,347   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,350   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,353   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,355   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,358   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,360   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,363   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,365   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,368   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,370   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,373   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,375   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,378   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,380   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,383   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,385   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,387   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,390   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,393   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,395   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,398   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,400   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,403   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,405   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,408   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,411   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,413   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,416   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,418   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,421   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,424   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,426   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,429   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,431   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,434   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,437   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,439   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,441   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,444   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,447   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,449   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,452   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,454   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,457   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,460   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,462   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,465   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,467   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,470   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,473   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,475   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,478   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,481   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,483   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,486   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,488   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,491   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,493   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,496   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,498   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,501   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,504   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,506   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,509   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,512   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,514   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,517   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,519   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,522   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,525   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,527   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,530   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,533   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,535   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,538   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,541   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,543   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,546   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,549   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,551   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,554   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,556   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,559   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,562   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,564   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,567   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,569   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,572   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,575   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,577   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,580   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,582   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,585   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,588   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,590   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,593   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,595   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,598   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,601   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,603   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,606   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,609   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,611   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,614   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,617   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,619   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,622   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,625   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,627   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,630   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,632   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,635   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,637   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,640   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,642   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,645   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,647   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,650   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,652   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,655   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,657   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,660   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,663   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,665   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,668   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,671   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,673   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,676   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,679   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,681   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,684   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,687   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,689   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,692   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,695   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,697   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:28:29,699   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,701   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,703   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,706   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,708   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,711   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,713   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,716   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,718   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,721   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,723   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,726   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,728   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,731   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,734   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,736   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,739   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,742   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,744   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,747   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,749   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,752   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,755   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,758   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,761   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,763   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,766   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,768   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,771   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,773   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,775   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,778   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,781   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,783   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,786   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,789   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,791   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,794   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,796   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,799   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:28:29,801   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,802   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,805   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,808   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,810   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,813   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,815   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,818   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,821   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,823   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,826   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,829   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,831   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,834   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,836   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,839   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,841   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:28:29,843   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,844   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,847   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,850   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,852   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,855   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,857   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,860   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,862   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,864   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,867   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,869   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,872   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,875   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,877   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,880   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,882   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,885   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,887   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,890   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,893   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,895   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,898   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,900   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,903   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,905   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,908   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:28:29,910   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,911   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,914   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,916   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,919   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,921   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,924   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,926   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,929   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,931   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,933   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,936   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,939   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,942   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,944   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,947   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,949   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,952   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,954   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,957   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,960   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,962   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,965   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,967   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,970   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,972   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,975   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,977   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,980   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,982   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,985   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,987   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,990   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,992   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,995   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:29,997   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,000   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,003   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,005   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,008   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,011   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,013   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,016   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,019   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,021   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,024   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,026   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,029   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,031   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,034   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,036   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,039   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,041   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,044   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,046   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,049   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,051   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,054   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,056   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,059   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,061   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,064   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,067   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,069   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,072   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,074   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,077   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,080   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,082   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,085   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,087   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,090   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,092   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,095   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,097   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,099   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,102   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,104   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,107   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,110   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,112   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,115   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,117   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,120   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,123   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,125   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,128   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,130   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,133   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,136   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,138   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,141   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,143   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,146   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,149   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,151   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,154   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,156   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,159   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,161   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,164   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,167   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,169   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,172   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,174   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,177   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,179   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,182   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,185   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,187   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,190   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,192   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,195   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,198   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,201   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,203   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,206   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,209   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,211   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,214   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,216   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,219   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,221   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,224   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,226   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,229   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,231   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,234   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,236   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,239   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,241   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,244   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,246   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,249   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,252   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,254   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,257   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,260   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,262   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,265   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,268   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,270   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,273   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,276   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,278   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,281   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,283   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,286   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,288   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,291   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,293   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,296   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,298   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,301   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,304   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,306   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,309   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,311   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,315   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,319   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,321   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,324   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,327   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,329   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,332   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,335   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,337   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,340   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,342   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,345   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,347   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,350   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,352   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,355   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,357   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,360   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,362   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,365   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,368   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,370   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,373   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,375   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,378   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,381   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,383   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,386   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,388   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,391   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,394   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,396   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,399   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,402   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,404   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,407   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,410   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,412   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,414   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,417   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,419   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,422   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,424   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,427   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,429   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,432   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,434   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,437   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,440   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,442   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,445   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,447   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,450   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,452   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,455   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,457   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,460   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,462   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,465   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,467   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,470   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,473   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,475   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,478   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,480   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,483   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,485   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,488   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,490   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,493   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,496   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,498   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,501   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,504   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,506   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,509   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,511   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,514   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,517   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,519   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,522   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,524   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,527   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,530   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,533   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,535   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,538   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,540   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,543   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,546   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,549   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,551   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,554   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,556   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,559   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,562   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,564   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,568   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,570   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,573   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,576   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,579   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,581   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,584   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,587   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,590   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,593   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,595   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,598   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,601   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,604   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,608   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,611   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,614   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,616   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,619   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,622   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,626   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,629   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:28:30,631   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,633   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,636   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,639   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,641   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,644   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,647   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,650   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,653   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,656   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,659   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,661   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,664   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,667   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,670   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,672   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,675   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,678   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,681   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,684   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,687   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,689   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,692   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,695   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,698   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,701   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,704   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,707   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,710   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,713   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,715   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,718   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,721   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:28:30,724   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,725   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,728   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,731   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,734   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,736   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,739   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,742   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,745   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,747   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,750   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,753   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,756   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,759   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,762   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,764   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,767   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,770   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,772   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,775   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,778   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,781   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,784   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,787   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,790   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,793   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,796   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,799   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,801   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,804   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,807   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,810   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:28:30,812   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,814   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,817   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,820   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,823   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,825   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,829   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,832   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,834   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,837   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,840   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,843   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,846   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,849   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,851   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,854   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,857   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,860   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,863   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:28:30,865   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,867   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,870   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,873   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,875   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,878   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,881   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,884   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,887   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,890   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,892   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,895   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,898   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,901   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,904   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,907   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,909   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,912   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,915   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,917   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,920   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,923   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,926   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,929   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,931   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,934   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,937   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,939   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,942   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,945   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,947   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,950   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,953   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,955   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,958   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,961   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,964   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,966   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,969   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,972   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,975   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,978   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,981   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,984   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,986   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,989   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,992   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,995   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:30,998   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,000   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,003   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,006   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,009   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,012   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,015   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,017   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,020   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,023   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,026   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,029   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,031   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,034   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,037   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,040   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,043   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,046   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,048   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,051   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,054   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,057   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,059   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,062   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,065   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,068   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,071   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,073   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,076   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,079   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,081   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,084   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,087   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,090   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,092   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,095   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,098   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,100   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,103   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,106   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,109   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,112   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,114   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,117   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,120   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,123   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,125   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,128   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,131   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,134   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,137   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,139   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,142   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,145   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,148   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,150   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,153   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,156   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,159   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,161   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,164   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,167   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,170   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,173   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,176   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,179   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,181   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,184   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,187   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,190   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,192   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,195   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,198   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,200   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,203   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,206   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,209   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,212   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,214   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,217   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,220   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,223   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,225   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,228   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,231   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,234   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,237   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,239   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,242   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,245   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,248   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,251   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,254   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,256   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,259   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,262   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,265   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,267   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,272   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,275   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,277   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,280   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,283   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,286   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,289   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,292   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,295   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,298   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,301   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,304   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,307   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,310   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,313   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,315   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,318   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,321   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,324   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,327   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,330   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,333   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,335   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,338   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,341   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,344   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,346   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,349   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,352   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,354   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,357   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,360   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,363   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,365   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,368   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,371   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,374   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,376   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,380   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,383   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,386   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,388   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,391   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,394   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,397   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,400   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,403   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,406   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,408   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,411   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,414   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,417   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,420   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,422   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,425   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,428   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,431   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,433   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,436   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,439   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,441   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,444   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,447   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,450   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,452   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,455   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,458   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,461   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,464   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,467   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,470   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,472   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,475   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,478   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,481   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,484   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,487   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,490   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,493   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,495   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,498   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,501   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,504   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,507   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,510   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,512   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,515   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,518   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,521   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,524   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,527   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,531   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,533   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,536   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,539   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,542   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,545   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,547   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,550   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,553   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,556   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,558   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,561   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,564   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,566   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,569   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,572   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,575   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,578   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,581   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,583   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,586   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,589   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,593   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,596   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,599   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,602   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,605   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,607   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,610   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,613   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,615   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,617   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,620   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,622   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,625   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,627   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,630   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,632   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,635   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,637   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,640   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,643   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,645   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,648   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,650   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,653   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,656   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,659   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,662   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,665   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,668   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,671   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,674   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,678   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,681   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,684   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,687   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,690   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,692   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,695   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,698   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,701   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,704   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,707   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,710   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,712   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,715   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,718   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,721   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,724   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,726   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,729   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,732   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,734   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,737   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,740   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,742   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,745   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,748   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,750   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,752   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,755   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,757   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,760   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,762   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,764   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,767   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,769   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,771   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,774   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,776   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,779   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,781   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,784   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,786   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,789   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,791   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,794   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,797   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,800   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,802   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,805   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,808   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,811   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,813   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,816   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,819   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,821   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,824   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,826   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,828   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,830   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,833   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,835   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,838   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,840   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,843   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,845   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,848   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,851   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,853   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,855   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,858   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,861   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,863   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,866   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,869   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,871   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,874   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,876   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,879   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,881   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,884   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,886   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,889   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,891   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,894   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,896   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,899   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,901   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,904   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,906   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,908   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,911   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,913   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,916   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,918   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,921   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,923   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,925   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,928   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,930   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,933   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,935   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,938   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,940   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,942   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,945   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,947   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,949   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,951   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,954   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,956   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,959   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,961   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,964   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,966   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,969   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,971   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,973   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,976   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,978   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,981   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,983   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,985   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,988   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,991   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,993   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:28:31,996   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:31,997   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,000   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,002   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,005   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,007   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,010   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,012   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,015   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,017   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,019   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,022   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,025   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,027   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,030   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,032   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,035   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,037   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,040   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,042   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,045   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,048   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,050   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,053   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,055   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,058   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,061   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,063   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,066   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,068   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,071   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,073   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,076   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,078   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,081   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,083   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,085   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,088   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,090   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,093   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,095   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,098   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,101   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,103   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,106   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,108   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,111   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,113   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,116   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,118   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,121   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,123   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,126   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,129   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,131   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,133   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,136   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,138   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,141   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,143   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,146   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,148   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,151   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,153   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,156   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,158   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,161   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,163   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,166   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,168   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,171   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,173   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,176   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,179   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,181   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,184   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,186   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,189   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,192   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,194   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,197   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,199   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,201   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,204   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,206   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,208   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,211   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,213   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,215   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,218   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,221   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,223   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,226   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,229   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,231   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,234   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,237   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,239   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,242   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,244   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,247   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,250   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,252   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,255   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,257   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,260   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,263   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,265   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,267   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,270   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,272   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,274   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,277   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,279   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,282   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,285   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,287   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,290   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,293   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,296   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,298   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,301   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,304   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,307   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,309   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,312   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,315   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,317   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,320   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,323   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,325   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,328   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,331   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,333   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,336   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,338   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,341   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,344   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,346   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,349   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,351   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,354   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,356   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,359   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,361   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,364   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,367   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,369   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,372   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,375   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,377   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,380   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,383   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,385   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,388   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,391   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,393   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,396   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,399   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,401   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,404   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,406   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,409   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,412   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,414   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,416   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,419   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,421   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,424   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,427   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,429   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,432   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,434   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,437   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,440   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,442   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,445   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,448   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,451   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,453   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,456   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,458   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,461   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,464   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,466   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,469   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,471   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,474   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,476   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,479   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,482   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,484   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,487   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,489   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,493   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,499   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,501   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,504   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,507   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,510   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,513   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,515   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,518   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,521   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,524   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,528   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,531   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,534   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,536   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,539   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,542   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,544   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,547   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,550   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,552   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,555   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,557   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,560   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,562   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,565   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,568   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,570   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,572   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,575   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,577   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,580   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,582   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,585   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,587   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,590   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,592   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,595   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,597   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,600   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,603   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,605   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,608   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,610   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,613   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,615   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,618   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,620   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,623   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,625   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,628   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,630   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,632   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,635   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,637   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,640   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,642   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,645   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,647   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,650   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,652   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,655   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,657   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,660   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,662   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,664   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,667   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,670   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,672   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,675   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,677   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,680   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,683   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,685   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,688   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,691   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,693   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,695   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,698   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,700   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,703   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,705   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,708   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,710   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,713   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,716   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,719   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,722   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,724   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,727   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,730   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,733   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,735   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,738   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,741   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,743   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,746   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,749   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,751   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,754   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,756   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,759   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,762   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,765   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,767   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,770   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,772   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,775   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,777   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,780   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,782   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,785   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,788   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,790   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,793   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,795   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,798   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,800   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,803   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,806   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,808   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,811   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,813   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,815   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,818   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,820   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,822   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,825   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,827   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,829   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,832   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,834   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,836   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,839   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,842   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,844   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,847   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,850   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,852   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,855   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,858   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,860   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,863   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,866   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,868   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,871   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,873   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,876   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,878   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,880   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,883   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,885   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,887   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,890   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,892   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,895   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,897   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,900   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,903   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,905   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,908   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,910   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,913   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,915   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,918   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,921   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,923   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,926   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,928   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,931   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,934   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,937   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,939   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,942   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,944   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,947   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,950   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,952   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,955   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,957   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,960   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,963   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,965   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,968   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,970   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,973   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,976   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,978   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,981   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,984   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,987   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,989   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,992   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,995   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:32,997   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,000   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,003   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,005   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,008   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,011   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,013   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,015   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,018   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,020   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,022   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,025   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,027   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,030   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,032   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,035   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,037   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,040   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,042   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,045   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,048   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,050   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,053   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,055   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,058   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,060   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,063   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,065   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,068   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,071   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,074   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,076   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,079   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,081   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,084   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,086   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,089   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,091   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,094   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,096   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,099   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,102   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,104   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,107   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,109   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,112   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,115   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,117   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,120   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,123   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,125   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,128   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,131   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,133   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,136   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,139   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,142   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,144   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,147   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,150   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,152   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,155   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,157   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,160   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,162   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,165   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,167   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,170   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,172   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,175   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,177   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,180   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,183   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,185   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,188   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,190   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,193   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,196   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,198   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,201   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,203   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,206   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,208   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,211   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,214   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,216   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,219   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,221   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,224   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,226   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,229   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,231   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,234   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,236   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,239   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,242   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,244   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,247   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,249   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,252   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,254   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,257   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,260   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,262   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,265   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,268   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,271   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,274   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,276   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,279   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,282   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,284   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,287   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,293   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,295   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,298   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,301   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,303   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,306   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,309   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,311   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,314   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,317   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,319   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,322   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,325   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,327   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,330   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,332   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,335   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,338   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,340   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:28:33,343   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,344   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,347   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,351   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,353   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,355   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,358   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,360   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,363   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,365   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,367   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,370   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,372   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,374   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,377   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,379   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,382   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,385   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,387   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,390   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,392   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,395   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,397   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,400   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,402   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,405   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,408   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,410   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,413   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,415   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,418   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,421   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,423   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,425   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,428   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,430   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,432   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,435   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,437   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,440   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,442   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,445   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:28:33,447   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,449   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,451   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,454   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,456   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,459   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,461   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,464   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,466   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,469   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,472   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,474   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,477   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,479   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,482   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,484   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,487   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,490   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,492   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,495   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,498   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,500   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,502   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,505   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,507   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,510   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,512   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,515   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,517   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,520   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,522   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,525   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,527   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,530   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,532   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,534   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,537   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,539   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,542   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,545   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,548   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,550   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,553   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,556   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,559   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,561   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,563   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:28:33,566   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,567   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,570   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,572   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,574   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,577   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,579   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,582   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,584   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,587   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,589   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,592   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,594   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,597   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,600   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,602   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,605   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,608   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,610   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,613   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,615   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,618   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,620   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,623   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,626   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,629   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,632   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,634   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,636   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,639   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,641   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,644   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,647   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,649   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,652   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,654   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,657   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,660   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,662   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,665   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,667   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,670   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,672   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,675   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,677   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,680   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,682   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,685   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,688   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,690   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,693   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,696   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,698   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,700   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,703   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,705   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,708   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,710   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,713   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,715   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,718   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,720   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,723   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,725   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,728   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,731   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,733   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,736   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,739   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,741   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,744   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,747   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,750   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,752   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,755   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,758   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,761   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,763   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,766   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,768   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,771   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,773   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,776   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,779   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,781   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,784   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,787   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,789   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,792   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,795   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,797   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,800   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,803   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,805   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,808   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,811   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,813   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,816   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,819   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,822   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,825   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,828   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,830   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,833   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,836   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,838   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,841   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,843   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,846   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,849   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,851   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,854   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,856   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,859   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,861   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,864   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,866   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,869   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,871   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,874   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,876   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,879   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,881   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,884   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,887   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,889   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,892   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,895   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,897   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,900   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,903   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,905   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,908   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,910   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,913   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,915   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,918   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,921   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,923   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,926   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,929   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,932   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,934   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,937   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,940   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,942   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,945   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,948   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,950   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,953   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,955   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,958   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,961   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,963   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,966   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,969   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,971   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,974   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,977   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,979   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,982   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,984   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,987   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,990   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,992   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,995   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:33,997   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,000   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,003   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,006   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,009   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,011   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,014   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,017   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,020   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,022   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,025   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,028   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,030   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,033   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,035   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,038   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,040   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,043   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,046   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,048   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,051   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,053   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,056   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,059   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,062   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,064   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,067   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,070   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,072   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,075   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,078   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,080   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,083   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,086   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,089   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,091   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,094   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,096   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,099   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,102   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,104   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,107   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,110   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,112   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,115   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,117   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,120   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,122   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,125   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,128   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,130   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,133   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,135   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,138   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,140   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,143   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,146   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,149   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,151   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,154   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,157   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,159   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,162   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,165   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,167   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,170   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,173   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,175   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,178   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,180   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,183   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,186   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,188   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,191   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,193   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,196   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,199   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,201   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,204   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,206   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,209   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,212   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,214   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,217   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,220   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,222   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,225   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,228   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,230   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,233   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,236   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,238   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,241   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,243   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,246   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,248   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,251   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,253   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,256   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,258   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,261   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,263   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,266   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,269   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,271   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,274   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,277   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,279   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,282   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,285   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,287   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,290   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,292   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,295   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,298   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,300   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,303   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,305   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,308   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,310   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,313   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,315   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,318   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,320   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,323   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,325   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,328   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,330   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,333   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,336   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,338   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,341   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,343   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,346   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,349   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,352   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,354   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,357   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,359   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,362   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,364   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,367   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,369   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,372   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,375   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,377   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,380   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,382   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,385   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,387   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,390   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,392   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,395   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,397   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,400   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,402   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,405   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,408   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,410   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,413   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,416   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,419   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,421   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,424   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,427   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,429   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,432   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,434   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,437   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,439   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,441   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,444   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,446   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,448   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,451   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,453   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,456   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,458   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,461   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,464   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,466   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,469   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,472   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,475   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,477   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,480   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,483   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,485   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,488   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,491   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,494   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,496   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,499   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,502   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,504   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,507   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,509   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,512   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,515   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,517   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,520   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,523   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,525   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,528   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,531   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,533   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,536   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,539   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,541   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,544   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,546   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,549   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,551   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,554   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,557   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,559   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,561   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,563   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,566   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,569   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,571   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,573   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,576   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,578   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,581   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,584   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,586   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,589   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,592   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,594   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,597   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,600   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,602   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,604   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,607   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,609   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,612   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,614   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,617   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,619   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,622   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,624   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,627   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,630   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,632   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,635   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,638   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,640   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,643   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,645   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,648   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,650   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,653   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,656   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,659   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,661   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,664   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,666   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,669   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,671   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,674   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,676   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,679   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,681   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,684   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,686   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,689   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,691   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,693   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,696   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,699   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,701   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,704   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,706   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,709   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,711   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,714   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,717   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,719   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,722   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,724   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,727   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,730   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,732   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,735   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,737   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,740   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,743   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,746   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,748   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,751   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,753   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,756   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,758   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,761   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,763   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,766   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,768   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,771   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,773   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,776   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,778   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,781   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,783   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,786   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,788   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,791   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,793   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,796   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,799   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,801   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,804   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,807   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,809   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,812   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,815   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,817   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,820   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,822   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,825   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,827   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,830   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,832   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,835   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,837   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,840   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,843   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,845   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,848   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,850   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,853   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,855   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,858   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,860   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,863   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,866   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,868   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,871   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,874   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,876   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,879   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,882   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,884   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,886   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,889   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,891   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,894   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,896   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,899   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,902   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,904   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,907   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,909   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,912   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,915   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,917   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,920   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,923   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,925   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,928   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,930   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,933   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,936   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,938   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,941   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,944   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,946   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,949   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,951   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,954   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,956   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,959   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,961   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,964   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,966   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,969   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,971   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,973   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,976   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,979   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,981   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,983   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,986   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,988   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,991   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,993   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,996   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:34,998   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,001   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,003   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,006   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,009   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,011   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,013   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,016   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,018   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,020   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,023   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,025   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,028   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,030   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,032   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,035   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,037   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,040   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,042   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,045   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,047   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,050   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,053   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,055   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,058   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,060   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,063   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,065   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,068   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,070   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,072   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,075   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,077   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,079   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,082   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,084   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,087   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,089   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,091   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,094   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,096   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,099   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,101   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,104   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,106   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,109   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,111   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,114   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,116   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,119   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,121   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,124   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,127   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,129   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,131   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,134   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,136   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,138   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,141   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,143   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,145   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,148   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,150   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,152   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,154   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,157   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,159   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,161   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,164   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,166   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,169   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,171   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,174   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,177   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,179   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,182   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,184   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,187   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,189   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,192   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,195   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,197   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,200   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,202   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,204   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,207   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,209   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,212   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,214   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,216   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,218   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,221   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,223   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,226   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,228   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,230   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,233   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,235   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,238   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,240   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,242   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,244   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,247   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,250   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,252   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,254   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,257   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,259   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:28:35,262   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,263   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,266   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,268   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,271   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,273   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,275   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,278   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,280   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,283   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,285   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,288   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,290   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,293   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,295   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,298   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,301   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,307   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,310   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,313   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,316   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,319   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,321   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,324   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,328   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,330   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,333   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,336   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,338   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,341   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,343   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,346   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,348   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,351   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,353   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,356   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,359   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,363   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,367   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,373   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,379   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,384   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,386   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,389   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,392   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,395   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,398   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,401   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,404   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,407   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,410   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,412   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,415   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,418   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,420   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,423   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,426   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,574   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,577   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,581   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,585   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,589   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,593   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,596   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,598   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,601   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,603   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,606   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,609   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,611   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,614   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,616   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,619   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,621   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,624   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,627   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,629   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,632   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,635   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,637   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,640   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,642   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,645   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,647   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,650   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,652   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,655   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,657   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,660   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,662   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,665   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,667   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,670   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,673   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,675   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,678   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,680   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,683   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,685   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,688   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,691   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,693   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,696   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,699   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,701   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,704   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,707   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,710   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,712   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,715   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,718   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,720   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,723   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,725   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,728   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,731   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,733   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,736   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,738   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,741   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,743   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:28:35,746   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:35,747   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:35,750   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:35,752   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:35,755   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:35,758   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:28:35,760   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,762   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,765   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,767   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,770   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,772   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,775   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,778   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,780   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,783   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,785   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,788   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,791   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,793   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,795   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,798   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,800   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,803   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,805   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,808   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,810   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,813   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,815   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,818   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,821   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,823   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,826   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,828   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,831   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,833   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,836   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,838   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,841   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,844   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,847   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,850   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,852   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,855   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,858   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,861   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,864   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,866   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,869   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,872   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,874   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,876   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,879   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,882   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,884   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:28:35,886   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,888   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,891   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,894   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,897   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,900   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,904   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,907   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,910   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,913   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,917   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,961   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,965   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,969   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,973   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,977   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,981   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,983   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,986   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,988   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,990   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,993   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,996   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:35,998   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,001   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,003   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,006   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,008   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,011   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,014   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,016   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,019   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,021   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,024   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,027   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,029   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,032   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:28:36,034   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,036   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,041   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,043   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,046   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,049   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,051   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,054   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,056   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,059   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,062   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,064   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,067   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,070   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,072   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,075   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,077   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,080   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,082   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,085   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,088   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,091   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,093   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,096   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,099   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,101   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,104   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,106   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,109   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,112   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,114   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,117   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,120   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,122   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,125   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,127   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,129   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,132   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,134   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,137   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,139   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,142   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,145   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,147   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,150   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,153   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,155   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,158   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,161   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,164   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,166   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,169   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,171   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:28:36,173   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,175   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,177   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,180   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,182   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,185   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,187   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,190   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,192   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,195   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,197   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,200   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,202   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,205   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,207   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,210   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,212   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,215   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,217   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,220   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,222   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,225   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,227   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,230   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,233   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,235   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,238   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,240   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,242   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,245   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,248   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,250   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,253   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,255   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,258   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,261   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,263   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,266   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,269   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,271   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,274   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,276   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,279   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,282   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,285   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,288   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,291   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,294   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,297   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,300   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,303   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,306   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,309   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,312   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,314   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,317   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,320   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,323   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,326   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,329   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,332   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,334   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,337   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,340   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,343   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,346   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,349   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,351   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,354   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,357   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,360   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,363   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,366   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,368   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,371   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,374   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,377   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,380   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,383   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,386   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,389   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,391   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,394   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,397   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,400   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,403   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,405   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,408   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,411   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,414   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,416   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,419   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,422   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,425   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,428   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,430   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,433   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,436   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,439   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,441   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,444   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,447   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,450   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,453   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,455   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,458   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,461   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,464   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,466   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,469   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,472   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,475   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,477   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,480   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,483   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,485   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,488   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,491   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,493   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,496   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,499   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:28:36,501   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,503   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,506   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,509   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,511   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,514   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,517   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,519   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,523   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,526   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,529   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,532   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,535   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,538   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,541   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,543   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,546   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,549   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,553   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,555   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,559   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,562   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,564   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,567   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,570   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,573   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,575   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,578   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,581   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,584   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,586   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,589   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,592   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,594   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:28:36,597   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,599   copying xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,601   copying xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,604   copying xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,607   copying xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,610   copying xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,613   copying xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,616   copying xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,618   copying xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,621   copying xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,624   copying xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,627   copying xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,630   copying xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,632   copying xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,635   copying xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,638   copying xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,641   copying xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,644   copying xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,646   copying xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,649   copying xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,652   copying xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,654   copying xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,657   copying xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,660   copying xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,663   copying xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,665   copying xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,668   copying xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,671   copying xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,674   copying xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,676   copying xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,679   copying xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,682   copying xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,685   copying xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,688   copying xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,690   copying xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,693   copying xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,695   copying xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,698   copying xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,700   copying xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,702   copying xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,705   copying xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,707   copying xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,710   copying xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,712   copying xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,715   copying xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,717   copying xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,720   copying xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,722   copying xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,725   copying xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,727   copying xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,730   copying xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,732   copying xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,735   copying xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,737   copying xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,740   copying xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,742   copying xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,745   copying xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,747   copying xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,750   copying xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,753   copying xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,755   copying xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,758   copying xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,760   copying xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,763   copying xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,765   copying xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,768   copying xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,770   copying xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,772   copying xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,775   copying xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,777   copying xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,780   copying xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,783   copying xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:28:36,785   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:28:36,786   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:28:36,789   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:28:36,792   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:28:36,794   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:28:36,797   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,798   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,801   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,803   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,806   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,808   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,811   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,813   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,816   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,819   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,821   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,824   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,826   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,829   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,831   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:28:36,833   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,835   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,837   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,840   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,843   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,845   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,848   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,850   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,853   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,855   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,858   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,860   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,863   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,865   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,868   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,870   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,873   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,875   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,878   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,881   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,883   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,886   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,888   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,891   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,893   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,896   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,898   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,901   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,903   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,906   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,909   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,911   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,913   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,916   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,918   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,921   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,924   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,926   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,929   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,931   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,934   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,936   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,939   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,941   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,944   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,947   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,949   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,952   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,955   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,957   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,960   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,962   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,965   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,967   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,970   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,972   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,975   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,977   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,980   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,982   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,985   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,987   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,990   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,992   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,995   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:36,998   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:28:37,000   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,001   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,004   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,007   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,009   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,012   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,014   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,017   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,019   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,022   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,025   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,027   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,030   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,032   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,034   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,037   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,039   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,042   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,044   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,047   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,050   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,052   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,055   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,057   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,060   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,063   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,065   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,068   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,070   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,073   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,076   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,078   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:28:37,081   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,082   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,085   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,087   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,090   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,092   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,095   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,097   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,100   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,102   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,105   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,107   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,109   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,112   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,114   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,117   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,119   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,122   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,124   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,127   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,129   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,132   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,134   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,137   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,139   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,142   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,144   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,147   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,149   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,152   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,155   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,157   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,160   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,162   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,165   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,168   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,170   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,173   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,175   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,177   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,180   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,182   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,184   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,187   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,189   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,191   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,194   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,196   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,199   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,201   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,204   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,206   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,209   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,211   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,214   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,217   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,219   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,222   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,224   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,227   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,230   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,233   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,235   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,238   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,241   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,243   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,246   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,248   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,251   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,253   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,255   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,258   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,260   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,263   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,265   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,268   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,270   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,273   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,275   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,278   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,280   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,283   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,286   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,288   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,291   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,293   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,296   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,298   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,301   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,303   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,306   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,308   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,311   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,313   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,315   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,318   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,320   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,323   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,325   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,328   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,330   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,333   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,335   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,338   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,340   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,343   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,346   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,348   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,351   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,353   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,356   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,358   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,361   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,363   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,366   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,368   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,371   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,374   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,376   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,379   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,381   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,384   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,386   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,388   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,391   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,393   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,396   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,398   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,401   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,403   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,406   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,408   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,411   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,413   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,415   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,418   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,420   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,423   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,425   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,428   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,430   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,433   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,435   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,438   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,440   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,443   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,445   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,448   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,451   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,454   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,457   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,459   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,461   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,464   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,466   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,469   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,471   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,473   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,476   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,479   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,482   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,484   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,487   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,490   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,492   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,495   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,497   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,500   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,502   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,504   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,507   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,509   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,512   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,514   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,516   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,519   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,522   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,525   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,528   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,531   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,534   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,536   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,539   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,541   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,543   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,546   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,548   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,550   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,553   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,555   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,557   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,559   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,562   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,565   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,567   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,570   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,574   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,576   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,579   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,581   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,584   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,586   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,588   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,591   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,593   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,595   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,598   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,601   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,604   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,606   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,609   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,611   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,613   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,616   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,618   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,621   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,623   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,625   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,628   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,630   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,633   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,635   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,638   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,641   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,643   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,646   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,649   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,651   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,654   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,656   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,659   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,662   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,665   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,667   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,670   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,672   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,675   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,677   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,679   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,681   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,684   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,686   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,688   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,691   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,693   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,696   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,698   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,701   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,703   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,706   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,708   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,710   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,713   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,715   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,718   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,721   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,723   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,726   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,728   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,731   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,733   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,736   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,738   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,741   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,743   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,746   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,748   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,751   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,753   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,756   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,758   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,761   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,763   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,766   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,768   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,771   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,773   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,776   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,778   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,780   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,783   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,785   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,788   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,791   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,793   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,796   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,798   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,801   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,803   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,806   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,808   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,811   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,813   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,816   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,819   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,821   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,824   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,826   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,828   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,831   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,833   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,836   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,838   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,841   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,843   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,846   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,848   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,851   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,853   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,856   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,859   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,862   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,864   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,867   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,870   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,873   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,875   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,878   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,881   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,883   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,886   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,888   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,891   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,894   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,896   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,899   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,901   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,903   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,906   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,908   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,910   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,913   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,915   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,918   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,920   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,923   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,925   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,928   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,930   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,933   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,935   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,937   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,940   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,942   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,945   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,947   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,950   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,952   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,955   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,957   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,960   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,962   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,965   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,967   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,970   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,972   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,975   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,977   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,980   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,982   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,984   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,987   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,989   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,992   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,994   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,997   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:37,999   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,002   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,004   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,007   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,010   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,012   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,015   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,017   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,020   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,022   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,025   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,028   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,030   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,033   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,035   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,038   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,040   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,043   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,045   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,048   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,050   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,052   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,055   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,057   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,060   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,062   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,065   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,067   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,070   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,072   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,075   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,077   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,080   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,082   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,085   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,087   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,090   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,092   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,095   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,098   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,100   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,103   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,105   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,108   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,111   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,113   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,116   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,118   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,120   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,123   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,125   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,128   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,131   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,133   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,136   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,138   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,141   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,143   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,146   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,148   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,151   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,153   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,156   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,158   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,161   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,164   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,166   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,169   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,171   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,174   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,177   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,179   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,182   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,184   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,187   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,189   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,192   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,194   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,197   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,199   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,202   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,204   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,207   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,209   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,212   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,214   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,217   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,219   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,222   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,224   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,227   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,229   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,232   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,234   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,237   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,240   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,242   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,245   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,247   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,250   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,252   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,255   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,257   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,260   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,262   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,265   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,267   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,270   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,272   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,275   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,277   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,279   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,282   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,284   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,287   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,289   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,292   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,295   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,297   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,300   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,303   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,305   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,308   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,310   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,313   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,315   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,318   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,320   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,323   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,325   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,328   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,330   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,333   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,335   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,337   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,340   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,342   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,345   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,347   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,350   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,352   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,354   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,357   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,359   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,362   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,365   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,367   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,370   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,372   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,375   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,378   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,381   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,384   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,387   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,390   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,393   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,396   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,399   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,402   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,405   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,408   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,411   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,414   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,416   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,419   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,421   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,424   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,426   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,429   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,431   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,434   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,437   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,439   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,442   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,444   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,447   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,449   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,452   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,455   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,457   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,460   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,462   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,465   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,468   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,470   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,473   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,476   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,479   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,481   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,484   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,486   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,489   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,491   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,494   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,496   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,499   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,501   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,503   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,506   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,508   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,511   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,513   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,516   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,518   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,521   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,523   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,526   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,528   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:28:38,531   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,532   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,535   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,537   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,540   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,543   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,545   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,548   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,550   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,553   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,555   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,558   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,560   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,563   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,565   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,568   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,570   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,573   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,576   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:28:38,578   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,579   copying xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,582   copying xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,584   copying xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,587   copying xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,589   copying xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,592   copying xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,594   copying xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,597   copying xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,599   copying xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,601   copying xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,604   copying xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,607   copying xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,609   copying xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,611   copying xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,614   copying xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,616   copying xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,619   copying xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,622   copying xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,624   copying xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,627   copying xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,629   copying xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,631   copying xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,634   copying xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,636   copying xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,639   copying xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,641   copying xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:28:38,644   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,645   copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,648   copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,650   copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,653   copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,655   copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,657   copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,660   copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,663   copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,665   copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,668   copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,670   copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,673   copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,675   copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,678   copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,681   copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,683   copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,687   copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,690   copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,692   copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,694   copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,697   copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,699   copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,702   copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,704   copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,706   copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,708   copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,711   copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,713   copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,716   copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,718   copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,721   copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,724   copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,727   copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,730   copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,733   copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,735   copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,737   copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,740   copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,742   copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,745   copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,747   copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,750   copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,752   copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,755   copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,757   copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,760   copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,763   copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,766   copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,768   copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,771   copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,774   copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,777   copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,779   copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,782   copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,784   copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,786   copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,789   copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,791   copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,794   copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,796   copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,799   copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,801   copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,804   copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,806   copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,809   copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,811   copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,814   copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,816   copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,819   copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,821   copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,824   copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,826   copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,829   copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,831   copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,834   copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,836   copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,839   copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,842   copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,844   copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,847   copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,850   copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,852   copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,855   copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,857   copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,860   copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,862   copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,865   copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,868   copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,871   copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,873   copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:28:38,876   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,877   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,880   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,883   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,885   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,888   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,890   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,893   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,896   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,899   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,901   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,904   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,907   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,909   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,912   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,915   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,917   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,920   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,922   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,925   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,928   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,930   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:28:38,933   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,934   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,937   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,939   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,942   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,944   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,947   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,949   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,952   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,954   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,957   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,959   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,962   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,964   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,967   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,970   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,972   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,975   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,978   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,980   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,983   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,985   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,988   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,990   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,993   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,995   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:38,998   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,000   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,003   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,006   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,008   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,011   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,013   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,016   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,018   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,021   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,024   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,026   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,029   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,031   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,034   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:28:39,036   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,038   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,041   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,044   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,046   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,049   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,052   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,054   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,056   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,059   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,061   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,064   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,066   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,069   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,071   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,074   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,076   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:28:39,078   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,080   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,082   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,085   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,087   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,090   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,092   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,095   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,098   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,100   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,103   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,105   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,108   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,111   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,113   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,116   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,118   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,121   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,123   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,126   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,128   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,131   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,133   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,136   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,138   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,140   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,143   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,145   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,148   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,150   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,153   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,156   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,158   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,161   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,163   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,166   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,169   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,171   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,174   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,177   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,179   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,182   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,184   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,187   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,189   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,192   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:28:39,194   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,195   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,198   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,200   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,202   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,205   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,207   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,210   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,212   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,215   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,217   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,220   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,222   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,225   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,227   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,229   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,232   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,235   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,237   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,240   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,243   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,245   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,248   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,250   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,253   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,255   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,257   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,260   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,262   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,265   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,267   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,270   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,272   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,275   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,277   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,280   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,283   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,285   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,288   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,290   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,293   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,296   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,298   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,301   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,304   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,306   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,309   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,312   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,314   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,317   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,319   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,322   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,324   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,326   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,329   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,331   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,335   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,338   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,340   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,343   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,346   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,348   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,350   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,353   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,356   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,358   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,361   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,363   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,366   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,368   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,371   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,373   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,376   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,379   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,381   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,384   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,386   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,389   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,391   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,394   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,396   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,399   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,401   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,404   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,406   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,409   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,411   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,414   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,416   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,419   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,421   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,424   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,426   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,429   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,431   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,434   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,436   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,439   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,441   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,444   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,447   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,449   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,452   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,454   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,457   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,459   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,461   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,464   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,466   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,469   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,471   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,474   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,476   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,479   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,481   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,484   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,486   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,488   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,491   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,493   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,496   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,499   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,502   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,504   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,507   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,509   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,512   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,515   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,518   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,520   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:28:39,523   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,524   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,527   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,529   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,532   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,534   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,536   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,539   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,541   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,544   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,546   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,549   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,551   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,554   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,556   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,559   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,561   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,564   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,566   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,569   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,571   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,574   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,576   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,579   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,582   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,584   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,587   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,590   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,592   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,595   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,598   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,600   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,603   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,605   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,608   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,610   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,613   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,615   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,618   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,620   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,623   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,625   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,627   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,630   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,632   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,635   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,637   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,640   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,643   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,645   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,648   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,650   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,652   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,655   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,657   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,660   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,662   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,664   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,667   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,669   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,672   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,674   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,676   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,679   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,681   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,684   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,686   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,688   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,691   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,693   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,696   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,698   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,701   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,703   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,706   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,708   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,711   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,713   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,715   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,718   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,720   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,723   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,725   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,728   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,730   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,733   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,735   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,737   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,740   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,742   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,745   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,748   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,750   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,753   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,755   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,758   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,760   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,763   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,765   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,768   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,770   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,772   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,775   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,777   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,780   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,782   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,784   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,787   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,789   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,792   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,794   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,797   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,799   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,802   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,804   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,807   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,809   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,812   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,814   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,817   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,820   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,822   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,825   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,827   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,830   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,832   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,835   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,837   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,839   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,842   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,844   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,847   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,850   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,852   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,855   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,857   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,860   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,862   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,865   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,867   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,870   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,872   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,875   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,877   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,880   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,883   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,886   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,889   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,892   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,894   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,897   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,899   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,902   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,904   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,906   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,909   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,911   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,914   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,916   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,919   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,921   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,925   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,928   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,931   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,934   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,936   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,939   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,941   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,944   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,946   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,949   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,951   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,954   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,956   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,958   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,961   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,964   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,967   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,970   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,973   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,976   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,978   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,981   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,983   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,986   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,988   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,991   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,993   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,995   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:39,998   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,000   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,002   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,005   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,008   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,010   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,013   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,015   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,018   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,020   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,023   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,025   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,027   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,030   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,032   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,035   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,037   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,040   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,042   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,045   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,047   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,050   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:28:40,052   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,053   copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,056   copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,059   copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,061   copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,064   copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,066   copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,069   copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,072   copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,074   copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,077   copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,079   copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,082   copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,084   copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,086   copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,089   copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,091   copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,093   copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,096   copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,099   copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,101   copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,103   copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,106   copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,108   copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,111   copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,113   copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,116   copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,118   copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,121   copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,123   copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,126   copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,128   copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,131   copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,133   copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,136   copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,138   copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,141   copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,143   copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,145   copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,148   copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,150   copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,152   copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,155   copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,157   copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,160   copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,162   copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,164   copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,167   copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,170   copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,172   copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,174   copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,177   copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,179   copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,182   copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,184   copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,187   copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,189   copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,192   copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,194   copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,197   copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,199   copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,202   copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,204   copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,207   copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,209   copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,211   copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,214   copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,216   copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,219   copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,221   copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,223   copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,226   copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,228   copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,231   copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,233   copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,236   copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,238   copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,241   copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,243   copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,246   copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,248   copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,251   copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,253   copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,256   copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,258   copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,261   copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,264   copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,267   copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,269   copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,271   copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,274   copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,276   copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,279   copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,281   copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:28:40,283   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,285   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,287   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,290   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,292   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,295   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,297   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,300   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,302   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,305   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,307   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,310   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,312   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,315   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,317   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,319   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,322   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,324   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,327   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,330   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,332   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,335   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,337   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,340   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,342   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,344   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,347   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,349   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,351   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,354   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,356   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,359   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,361   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,364   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,366   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,368   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,371   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,373   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,376   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,379   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,381   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,384   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,386   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,389   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,391   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,394   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,396   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,399   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,401   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,404   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,406   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,409   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,411   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,413   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,416   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,418   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,420   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,423   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,425   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,427   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,430   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,432   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,435   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,437   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,440   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,442   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,445   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,447   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,449   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,452   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,454   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,457   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,459   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,462   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,464   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,467   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,469   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,472   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,474   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,477   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,479   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,481   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,484   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,486   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,489   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,491   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,494   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,496   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,499   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,501   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,503   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,506   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,508   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,511   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,513   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,516   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,518   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,521   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,524   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,526   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,529   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,531   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:28:40,534   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,535   copying xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,537   copying xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,540   copying xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,542   copying xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,545   copying xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,547   copying xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,550   copying xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,552   copying xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,554   copying xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,557   copying xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,559   copying xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,561   copying xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,564   copying xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,566   copying xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,569   copying xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,571   copying xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,574   copying xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,576   copying xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:28:40,579   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,580   copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,582   copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,585   copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,587   copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,590   copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,592   copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,595   copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,597   copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,600   copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,603   copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,605   copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,608   copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,610   copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,613   copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,615   copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,618   copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,620   copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,623   copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,625   copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,627   copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,630   copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,632   copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,635   copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,637   copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,640   copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,642   copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,645   copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,647   copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,650   copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,652   copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,655   copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,658   copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,660   copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,663   copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,666   copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,668   copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,671   copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,673   copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,676   copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,679   copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,681   copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,684   copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,686   copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,689   copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,691   copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,694   copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,696   copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,699   copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,701   copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,703   copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,706   copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,708   copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,710   copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,713   copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,715   copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,718   copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,720   copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,723   copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,726   copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,728   copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,731   copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,733   copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,736   copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,738   copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,741   copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,743   copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,746   copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,748   copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,751   copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,753   copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,756   copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,758   copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:28:40,760   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:40,762   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:40,764   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:40,767   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:40,769   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:40,772   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:40,774   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:40,776   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:40,779   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:28:40,781   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,782   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,785   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,787   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,790   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,792   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,795   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,797   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,800   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,803   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,805   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,807   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,810   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,813   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,815   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,818   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,820   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,823   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,825   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,827   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,830   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,832   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,834   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,837   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,839   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,842   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,844   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,847   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,849   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,852   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,854   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,857   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,859   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,861   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,864   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,866   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,869   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,871   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,874   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,876   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,879   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,881   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,884   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,886   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,890   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,892   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,895   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,897   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,900   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,903   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,905   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,908   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,910   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,913   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,915   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,918   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,921   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,923   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,926   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,928   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,931   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,933   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,935   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,938   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,941   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,943   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,946   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,948   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,951   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,953   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,956   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,958   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,961   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,963   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,966   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,968   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,971   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,973   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,976   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,978   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,980   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,983   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,985   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,987   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,990   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,992   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,995   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:40,997   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,000   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,002   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,005   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,007   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,010   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,012   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,015   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,017   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,020   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,022   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:28:41,025   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,026   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,029   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,031   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,034   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,037   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,039   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,042   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,044   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,047   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,049   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,052   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,055   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,059   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,062   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,065   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,068   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,072   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,074   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,077   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,080   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,083   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,086   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,089   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,092   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,095   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,097   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,099   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,102   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,104   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,107   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,109   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,112   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,114   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,117   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,120   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,122   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,125   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,128   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,132   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,134   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,137   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,139   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,142   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,144   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,147   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,149   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,152   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,154   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,157   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,159   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,162   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,165   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,168   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,171   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,174   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,178   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,181   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,183   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,185   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,188   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,190   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,192   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,195   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,197   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,200   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,202   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,204   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,207   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,209   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,212   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,214   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,217   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,219   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,222   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,224   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,227   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,229   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,232   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,235   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,237   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,240   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,242   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,245   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,247   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,250   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,252   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,254   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,257   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,259   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,261   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,264   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,266   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,269   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,271   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,273   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,276   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,278   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,281   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,283   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,286   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,289   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,291   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,294   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,297   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,299   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,302   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,304   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,307   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,309   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,312   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,314   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,316   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,319   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,322   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,324   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,326   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,329   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,331   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,334   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,336   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,339   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,342   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,344   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,347   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,349   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,353   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,355   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,358   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,360   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,363   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,365   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,368   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,370   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,373   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,375   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,379   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,381   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,384   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,386   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,389   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,392   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,394   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,397   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,399   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,402   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,405   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,407   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,410   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,412   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,415   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,417   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,420   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,422   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,425   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,428   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,430   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,433   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,436   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,439   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,442   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,444   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,447   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,450   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,453   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,455   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,458   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,460   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,463   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,465   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,468   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,470   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,473   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,475   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,477   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,480   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,482   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,485   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,487   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,489   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,492   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,494   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,497   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,500   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,502   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,505   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,508   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,510   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,513   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,515   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,518   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,520   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,523   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,525   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,528   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,530   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,532   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,535   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,537   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,540   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,543   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,545   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,548   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,550   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,552   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,555   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,557   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,560   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,562   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,565   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,567   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,570   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,572   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,575   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,577   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,580   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,582   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,585   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,587   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,590   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,592   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,595   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,597   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,600   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,602   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,605   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,607   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,609   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,612   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,614   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,617   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,619   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,621   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,624   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,626   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,629   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,631   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,634   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,636   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,639   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,641   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,644   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,647   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,649   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,652   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,654   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,656   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,659   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,661   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,664   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,666   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,669   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,671   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,674   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,676   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,679   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,682   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,684   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,687   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,689   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,692   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,694   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,697   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,699   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,702   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,704   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,707   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,709   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,712   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,715   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,717   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,720   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,722   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,724   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,727   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,729   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,732   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,734   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,737   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,740   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,742   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,745   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,747   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,751   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,754   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,756   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,759   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,762   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,764   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,767   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,769   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,772   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,775   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,778   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,780   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,783   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,785   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,788   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,790   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,793   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,795   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,798   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,800   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,803   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,805   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,808   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,810   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,812   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,815   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,817   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,820   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,822   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,825   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,827   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,830   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,832   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,835   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,837   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,840   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,843   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,845   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,848   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,851   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,853   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,856   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,858   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,861   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,863   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,866   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,868   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,870   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,873   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,875   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,878   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,881   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,883   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,886   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,888   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,891   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,893   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,896   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,899   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,901   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,904   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,906   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,909   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,912   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,914   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,917   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,919   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,921   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,924   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,926   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,928   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,931   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,933   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,935   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,938   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,940   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,943   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,945   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,948   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,950   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,952   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,955   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,957   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,960   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,962   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,964   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,967   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,970   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,972   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,975   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,977   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,980   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,982   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,984   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,987   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,989   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,992   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,994   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,997   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:41,999   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,002   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,004   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,007   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,009   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,012   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,014   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,017   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,020   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,022   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,025   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,027   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,030   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,033   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,035   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,038   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,041   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,043   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,046   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,049   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,051   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,053   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,056   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,059   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,061   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,064   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,066   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,069   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,071   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,073   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,076   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,079   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,081   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,084   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,086   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,089   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,091   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,094   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,096   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,099   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,102   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,104   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,107   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,109   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,112   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,114   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,117   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,120   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,122   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,125   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,127   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,130   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,133   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,135   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,138   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,140   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,144   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,182   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,185   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,189   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,192   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,195   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,198   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,201   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,204   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,207   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,210   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,213   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,215   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,218   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,221   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,224   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,226   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,229   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,231   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,234   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,236   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,239   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,241   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,244   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,246   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,248   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,251   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,253   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,256   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,258   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,261   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,263   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,265   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,268   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,270   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,273   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,275   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,278   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,281   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,283   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,286   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,289   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,291   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,294   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,296   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,299   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:28:42,301   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,302   copying xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,304   copying xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,307   copying xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,309   copying xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,312   copying xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,314   copying xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,317   copying xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,319   copying xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,322   copying xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,324   copying xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,327   copying xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,329   copying xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,332   copying xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,334   copying xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,337   copying xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,340   copying xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,342   copying xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,345   copying xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,347   copying xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,350   copying xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,353   copying xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:28:42,355   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,356   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,359   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,361   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,364   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,366   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,369   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,371   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,374   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,376   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,379   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,381   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,383   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,386   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,388   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,391   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,393   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,396   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,398   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,401   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,403   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,406   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,408   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,411   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,413   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,416   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,418   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,421   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,423   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,426   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,429   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,431   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,434   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,436   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,439   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,441   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,443   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,446   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,449   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,451   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,454   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,456   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,459   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,461   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,464   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,466   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,469   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,471   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,474   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,477   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,480   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,482   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,485   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:28:42,487   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,488   copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,491   copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,494   copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,496   copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,499   copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,502   copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,504   copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,507   copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,509   copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,512   copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,514   copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,517   copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,519   copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,522   copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,524   copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,526   copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,529   copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,531   copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,534   copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,537   copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,539   copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,542   copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,544   copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,547   copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,550   copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,552   copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,555   copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,558   copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,561   copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,563   copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,566   copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,569   copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,572   copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,575   copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,577   copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,580   copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,583   copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,585   copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,588   copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,591   copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,593   copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,596   copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,598   copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,601   copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,603   copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,606   copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,609   copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,611   copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,614   copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,616   copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,619   copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,622   copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,624   copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,627   copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,629   copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,632   copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,635   copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,637   copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,640   copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,642   copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,645   copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,647   copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,650   copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,652   copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,655   copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,657   copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:28:42,659   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,661   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,663   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,666   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,669   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,671   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,674   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,677   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,679   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,682   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,684   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,687   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,690   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,692   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,695   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,697   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,700   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,703   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,706   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,709   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,712   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,715   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,717   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,720   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,722   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,725   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,727   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,730   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,733   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,735   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,738   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,740   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,743   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,745   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,748   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,750   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,753   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,756   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,758   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:28:42,761   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,762   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,765   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,767   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,770   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,772   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,775   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,777   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,780   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,782   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,785   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,787   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,790   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,792   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,795   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,798   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,800   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,803   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,805   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,808   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,811   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,813   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,816   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,819   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,821   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,824   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,826   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,829   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,831   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,834   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,836   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,839   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,842   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,845   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,847   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,850   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,852   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,855   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,857   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,860   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,862   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,864   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,867   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,869   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,872   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,874   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,877   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,879   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,882   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,884   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,887   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,890   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,892   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,895   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,897   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,900   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,902   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:28:42,905   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,906   copying xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,909   copying xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,912   copying xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,914   copying xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,917   copying xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,919   copying xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,922   copying xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,924   copying xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,927   copying xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,929   copying xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,932   copying xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,934   copying xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,936   copying xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,939   copying xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,941   copying xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,944   copying xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,946   copying xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,949   copying xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,952   copying xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,955   copying xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,957   copying xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,960   copying xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,963   copying xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,965   copying xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,967   copying xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,970   copying xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,973   copying xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,976   copying xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,979   copying xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,981   copying xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,984   copying xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,987   copying xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,990   copying xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,992   copying xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,995   copying xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:28:42,997   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:42,998   copying xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,001   copying xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,003   copying xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,005   copying xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,008   copying xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,010   copying xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,013   copying xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,015   copying xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,018   copying xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,020   copying xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,023   copying xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,025   copying xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,028   copying xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,030   copying xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,033   copying xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,036   copying xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,039   copying xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,041   copying xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,044   copying xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,047   copying xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,049   copying xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,052   copying xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,054   copying xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,057   copying xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,060   copying xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,062   copying xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:28:43,065   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,066   copying xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,069   copying xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,072   copying xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,074   copying xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,077   copying xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,079   copying xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,082   copying xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,084   copying xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,087   copying xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,089   copying xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,092   copying xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,094   copying xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,097   copying xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,099   copying xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,102   copying xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,104   copying xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:28:43,106   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,108   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,110   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,113   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,116   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,118   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,121   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,123   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,125   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,128   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,130   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,133   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,136   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:28:43,138   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,139   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,142   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,144   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,147   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,149   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,152   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,154   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,157   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,159   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,161   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,164   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,166   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,169   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,172   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,174   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,177   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,179   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,182   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,184   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,187   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,189   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,192   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,195   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,197   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,200   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,202   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,205   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,208   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,210   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,213   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,215   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,218   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,220   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,223   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,225   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,227   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,230   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,233   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,235   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,237   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,240   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,243   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,245   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,248   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,252   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,256   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,259   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,262   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,265   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,268   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,271   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,274   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,276   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,279   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,282   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,285   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,289   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,291   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,294   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,297   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,299   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,302   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,304   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,307   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,310   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,312   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,315   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,318   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,320   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,323   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,325   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:28:43,327   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:43,329   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:43,331   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:43,334   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:43,337   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:43,339   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:43,342   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:43,345   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:43,347   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:28:43,350   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,351   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,354   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,356   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,359   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,361   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,364   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,367   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,370   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,372   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,375   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,377   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,380   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,383   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,385   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,388   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,390   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,393   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,395   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,398   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,401   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,403   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,406   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,408   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,411   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,413   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,416   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,419   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,421   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,424   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,426   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,429   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,432   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,434   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,436   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,439   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,441   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,444   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,447   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,449   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,452   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,455   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,458   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,460   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:28:43,463   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,464   copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,467   copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,469   copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,472   copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,474   copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,477   copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,480   copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,482   copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,485   copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,488   copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,491   copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,494   copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,496   copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,499   copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,502   copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,505   copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,508   copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,511   copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,513   copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,516   copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,518   copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,521   copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,524   copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,527   copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,529   copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,532   copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,535   copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,537   copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,540   copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,543   copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,545   copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,548   copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,550   copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,553   copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,556   copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,558   copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,561   copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,563   copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,566   copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,569   copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,571   copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,574   copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,577   copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,580   copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,582   copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:28:43,585   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,586   copying xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,589   copying xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,592   copying xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,594   copying xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,597   copying xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,599   copying xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,602   copying xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,604   copying xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,607   copying xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,610   copying xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,612   copying xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,615   copying xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,617   copying xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,620   copying xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,622   copying xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,625   copying xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,628   copying xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,631   copying xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,633   copying xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,636   copying xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,638   copying xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,641   copying xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,643   copying xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,646   copying xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,649   copying xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,651   copying xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,654   copying xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:28:43,656   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,657   copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,660   copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,662   copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,665   copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,667   copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,670   copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,673   copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,675   copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,678   copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,681   copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,683   copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,686   copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,689   copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,691   copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,694   copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,696   copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,699   copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,702   copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,704   copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,707   copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,710   copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,712   copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,715   copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,718   copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,720   copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,723   copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,725   copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,728   copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,731   copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,733   copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,736   copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,739   copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,741   copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,744   copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,746   copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,749   copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,752   copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,754   copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,757   copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,759   copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,762   copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,765   copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,767   copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,770   copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,772   copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,775   copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,777   copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,780   copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,782   copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,785   copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,788   copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,790   copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,793   copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,795   copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,798   copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,800   copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,803   copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,805   copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,808   copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,810   copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,813   copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,815   copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,817   copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:28:43,820   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,821   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,823   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,826   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,828   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,830   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,833   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,835   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,838   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,840   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,843   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,845   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,847   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,850   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,852   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,855   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,858   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,860   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,863   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,865   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,868   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,871   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,873   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,876   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,878   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,880   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,883   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,885   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,888   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,890   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,893   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,895   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,898   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,900   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,903   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,905   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,908   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,910   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,913   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,915   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,918   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,920   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,923   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,925   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,928   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,931   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,933   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,936   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,938   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,941   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,943   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,945   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,948   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,950   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,953   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,955   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,958   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,961   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,963   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,966   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,968   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,971   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,973   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,976   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,978   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,981   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,983   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,985   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,988   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,990   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,993   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,995   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:43,997   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,000   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,002   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,004   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,007   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,009   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,011   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,014   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,016   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,019   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,022   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,026   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,030   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,032   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,035   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,037   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,040   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,043   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,045   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,048   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,051   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,053   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,056   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,058   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,061   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,063   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,065   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,068   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,070   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,072   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,075   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,077   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,080   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,082   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,085   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,087   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,090   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,092   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,095   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,097   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,100   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,102   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,105   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,108   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,110   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,113   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,116   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,118   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,121   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,123   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,126   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,128   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,131   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,135   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,138   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,140   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,143   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,145   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,148   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,151   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,153   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,156   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,159   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,161   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,164   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,166   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,169   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,172   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,174   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,177   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,179   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,182   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,185   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,187   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,190   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,192   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,195   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,197   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,200   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,203   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,205   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,207   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,210   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,213   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,215   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,218   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,220   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,223   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,225   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,228   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,230   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,233   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,236   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,239   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,241   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,244   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,247   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,249   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,252   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,254   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,257   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,259   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,262   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,264   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,266   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,269   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,271   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,274   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,276   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,279   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,281   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,283   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,286   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,288   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,291   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,293   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,296   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,299   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,301   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,304   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,307   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,310   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,312   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,315   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,317   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,320   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,323   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,325   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,327   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,330   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,332   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,335   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,337   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,340   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,343   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,345   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,348   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,351   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,353   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:28:44,355   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,357   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,360   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,362   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,365   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,367   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,370   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,372   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,375   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,378   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,380   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,383   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,386   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,388   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,391   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,393   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,396   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,399   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,402   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,404   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,407   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,410   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,412   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,415   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,418   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,421   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,424   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,426   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,429   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,432   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,435   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,437   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,440   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,443   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,446   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,448   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,451   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,453   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,456   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,459   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,461   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:28:44,463   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,464   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,467   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,470   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,473   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,475   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,478   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,481   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,484   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,486   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,489   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,491   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,494   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,496   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,499   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,501   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,504   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,507   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,510   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,512   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,515   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,518   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,521   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,523   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,526   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,529   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,531   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,534   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,536   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,539   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,541   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,544   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,547   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,550   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,552   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,555   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,557   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,560   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,563   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,565   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:28:44,568   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:44,569   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:44,572   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:44,575   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:44,577   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:44,580   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:44,583   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:44,586   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:44,588   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:28:44,591   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,592   copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,595   copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,597   copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,600   copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,603   copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,605   copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,608   copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,610   copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,613   copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,616   copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,618   copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,621   copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,624   copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,626   copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,629   copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,631   copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,634   copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,637   copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,640   copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,642   copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,645   copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,648   copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,650   copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,653   copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,656   copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,659   copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,662   copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,664   copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,667   copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,670   copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,673   copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,675   copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,678   copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,681   copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,683   copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,686   copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,689   copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,691   copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,694   copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,697   copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,699   copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,702   copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:28:44,704   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:44,706   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:44,709   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:44,712   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:44,715   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:44,717   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:28:44,720   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,721   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,724   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,727   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,730   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,733   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,735   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,738   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,741   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,743   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,746   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,748   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,751   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,754   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,756   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,759   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,762   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,764   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,767   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,769   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,772   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,775   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,778   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,781   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,783   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,786   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,788   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,791   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,793   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,796   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,798   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,801   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,803   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,806   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,809   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,811   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,814   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,816   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,819   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,822   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,824   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,827   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,830   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,833   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,835   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,838   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,840   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,843   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,846   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:28:44,849   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,850   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,853   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,855   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,858   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,860   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,863   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,865   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,868   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,871   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,874   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,876   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,879   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,882   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,884   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,887   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,890   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,892   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,895   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,897   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,900   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,902   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,905   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,907   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,910   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,913   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,915   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,918   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,921   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,923   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,926   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,929   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,931   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,934   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,937   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,939   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,942   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,945   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,947   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,950   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,953   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,956   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,958   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,961   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,964   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,966   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:28:44,968   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,970   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,972   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,975   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,978   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,980   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,983   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,986   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,988   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,991   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,993   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,996   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:44,999   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,002   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,004   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,007   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,010   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,012   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,015   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,018   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,021   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,023   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,026   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,029   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,031   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,034   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,036   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,039   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,042   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,044   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,048   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,050   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,053   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,055   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,058   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,061   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,063   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,066   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,069   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,071   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,074   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,077   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,079   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,082   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,084   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,087   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,090   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,093   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,095   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,098   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,100   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,103   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,106   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,108   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,111   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,113   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,116   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,118   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,121   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,124   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,126   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,129   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,132   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,134   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,137   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,139   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,142   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,145   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,147   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,150   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,153   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,156   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,158   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,161   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,163   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,166   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,169   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,171   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,174   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,176   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,179   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,182   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,184   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,186   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,189   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,192   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,194   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,197   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,200   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,202   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,205   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,207   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,210   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,213   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,215   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,218   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,221   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,223   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,226   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,228   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,231   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,233   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,236   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,238   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,240   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,243   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,245   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,247   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,250   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,252   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,255   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,257   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,260   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,262   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,264   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,267   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,269   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,272   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,274   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,276   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,279   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,281   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,284   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,287   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,289   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,291   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,294   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,296   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,299   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,301   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,304   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,306   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,309   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,311   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,314   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,316   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,319   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,321   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,324   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,327   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,329   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,332   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,334   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,337   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,339   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,342   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,345   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,347   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,350   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,353   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,356   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,358   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,361   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,363   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,366   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,368   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,371   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,373   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,376   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,378   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,381   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,384   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,387   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,389   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,392   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,395   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,397   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,400   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,402   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,405   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,408   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,410   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,413   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,415   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,418   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,420   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,422   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,425   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,427   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,430   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,432   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,435   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,438   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,440   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,443   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,445   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,448   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,451   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,453   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,456   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,458   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,461   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,464   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,466   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,469   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,471   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,474   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,477   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,479   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,482   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,484   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,487   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,489   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,492   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,494   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,497   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,499   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,501   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,504   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,506   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,508   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,511   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,513   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,516   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,518   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,521   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,523   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,526   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,529   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,531   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,534   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,536   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,539   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,542   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,544   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,547   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,550   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,552   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,555   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,557   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,560   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,562   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,564   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,567   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,569   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,571   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:28:45,574   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,575   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,577   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,580   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,582   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,585   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,587   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,590   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,592   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,594   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,597   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,599   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,602   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,604   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,606   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,609   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,612   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,614   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,617   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,620   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,623   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,625   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,628   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,630   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,632   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,635   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,637   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,640   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,642   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,645   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,647   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,650   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,652   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,655   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,659   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,662   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,665   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,668   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,671   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,673   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,676   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,678   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,681   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,684   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,686   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,689   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,692   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,694   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,697   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,699   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,702   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:28:45,704   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,705   copying xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,708   copying xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,710   copying xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,712   copying xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,715   copying xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,717   copying xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,719   copying xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,722   copying xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,724   copying xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,727   copying xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,729   copying xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,731   copying xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,734   copying xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,736   copying xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:28:45,739   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,740   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,743   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,745   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,748   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,750   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,753   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,756   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,758   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,761   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,764   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,766   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,769   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,771   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,774   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,776   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,779   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,781   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,784   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,786   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,789   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,791   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,793   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,796   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,798   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,801   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,803   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,806   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,809   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,811   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,814   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,816   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,819   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,821   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,824   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,827   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,829   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,832   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,834   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,837   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,839   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,842   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,844   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,846   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,849   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:28:45,851   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,853   copying xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,855   copying xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,857   copying xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,860   copying xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,863   copying xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,865   copying xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,867   copying xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,870   copying xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,872   copying xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,875   copying xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,877   copying xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,880   copying xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,882   copying xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,885   copying xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,887   copying xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,890   copying xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,893   copying xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,895   copying xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,898   copying xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,900   copying xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,903   copying xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,905   copying xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,908   copying xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:28:45,910   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,911   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,914   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,916   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,919   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,921   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,924   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,926   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,929   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,932   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,934   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,936   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,939   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,941   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,944   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,946   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,949   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,951   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,954   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,956   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,959   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,962   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,964   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,967   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,969   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,971   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,974   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,977   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,979   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,981   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,984   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,986   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,989   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,991   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,993   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,996   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:45,998   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,001   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,004   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,006   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,009   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,011   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,013   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,016   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,018   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,021   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,023   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,026   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,028   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,030   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,033   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,035   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,038   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,041   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,043   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,046   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,049   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,051   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,053   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,056   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,058   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,060   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,063   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,065   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,068   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,070   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,073   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,075   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,078   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,080   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,083   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,085   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,088   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,090   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,093   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,095   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,098   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,101   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,103   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,106   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,108   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,111   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,113   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,116   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,118   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,120   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,123   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,125   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,127   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,130   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,132   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,134   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,137   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,139   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,141   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,143   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,146   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,148   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,151   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,154   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,156   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,159   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,162   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,164   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,167   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,170   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,172   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,175   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,177   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,180   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,182   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,185   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,187   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,190   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,192   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,194   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,197   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,199   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,201   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,204   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,206   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,208   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,211   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,213   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,216   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,218   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,221   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,223   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,226   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,228   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,231   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,233   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,236   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,238   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,241   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,243   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,246   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,248   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,251   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,253   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,256   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,258   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,261   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,263   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,265   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,268   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,270   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,272   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,277   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,280   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,282   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,284   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,287   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:28:46,289   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne
2025-08-31T09:28:46,292   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne
2025-08-31T09:28:46,294   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6
2025-08-31T09:28:46,296   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6
2025-08-31T09:28:46,298   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2
2025-08-31T09:28:46,299   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2
2025-08-31T09:28:46,302   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe
2025-08-31T09:28:46,303   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe
2025-08-31T09:28:46,305   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:28:46,307   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:28:46,309   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe
2025-08-31T09:28:46,310   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe
2025-08-31T09:28:46,313   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr
2025-08-31T09:28:46,314   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr
2025-08-31T09:28:46,316   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:28:46,318   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:28:46,320   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf
2025-08-31T09:28:46,322   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf
2025-08-31T09:28:46,324   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3
2025-08-31T09:28:46,326   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3
2025-08-31T09:28:46,328   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4
2025-08-31T09:28:46,330   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4
2025-08-31T09:28:46,332   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz
2025-08-31T09:28:46,333   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz
2025-08-31T09:28:46,336   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4
2025-08-31T09:28:46,337   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4
2025-08-31T09:28:46,339   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr
2025-08-31T09:28:46,341   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr
2025-08-31T09:28:46,343   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3
2025-08-31T09:28:46,344   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3
2025-08-31T09:28:46,346   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3
2025-08-31T09:28:46,348   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3
2025-08-31T09:28:46,350   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2
2025-08-31T09:28:46,352   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2
2025-08-31T09:28:46,354   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2
2025-08-31T09:28:46,355   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2
2025-08-31T09:28:46,358   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:28:46,359   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:28:46,361   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6
2025-08-31T09:28:46,362   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6
2025-08-31T09:28:46,365   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr
2025-08-31T09:28:46,366   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr
2025-08-31T09:28:46,368   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr
2025-08-31T09:28:46,370   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr
2025-08-31T09:28:46,372   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:28:46,373   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:28:46,375   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar
2025-08-31T09:28:46,377   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar
2025-08-31T09:28:46,379   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2
2025-08-31T09:28:46,380   copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2
2025-08-31T09:28:46,383   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117
2025-08-31T09:28:46,384   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117
2025-08-31T09:28:46,387   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23
2025-08-31T09:28:46,388   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23
2025-08-31T09:28:46,390   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121
2025-08-31T09:28:46,392   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121
2025-08-31T09:28:46,394   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11
2025-08-31T09:28:46,396   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11
2025-08-31T09:28:46,398   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67
2025-08-31T09:28:46,399   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67
2025-08-31T09:28:46,401   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118
2025-08-31T09:28:46,402   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118
2025-08-31T09:28:46,405   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68
2025-08-31T09:28:46,406   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68
2025-08-31T09:28:46,408   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56
2025-08-31T09:28:46,409   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56
2025-08-31T09:28:46,412   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6
2025-08-31T09:28:46,413   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6
2025-08-31T09:28:46,415   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8
2025-08-31T09:28:46,417   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8
2025-08-31T09:28:46,419   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47
2025-08-31T09:28:46,420   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47
2025-08-31T09:28:46,423   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88
2025-08-31T09:28:46,424   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88
2025-08-31T09:28:46,426   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32
2025-08-31T09:28:46,427   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32
2025-08-31T09:28:46,430   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39
2025-08-31T09:28:46,431   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39
2025-08-31T09:28:46,433   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14
2025-08-31T09:28:46,435   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14
2025-08-31T09:28:46,437   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34
2025-08-31T09:28:46,438   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34
2025-08-31T09:28:46,441   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22
2025-08-31T09:28:46,442   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22
2025-08-31T09:28:46,444   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59
2025-08-31T09:28:46,446   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59
2025-08-31T09:28:46,448   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51
2025-08-31T09:28:46,449   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51
2025-08-31T09:28:46,452   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60
2025-08-31T09:28:46,453   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60
2025-08-31T09:28:46,455   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128
2025-08-31T09:28:46,457   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128
2025-08-31T09:28:46,459   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113
2025-08-31T09:28:46,460   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113
2025-08-31T09:28:46,463   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82
2025-08-31T09:28:46,464   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82
2025-08-31T09:28:46,466   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24
2025-08-31T09:28:46,467   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24
2025-08-31T09:28:46,470   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33
2025-08-31T09:28:46,471   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33
2025-08-31T09:28:46,473   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25
2025-08-31T09:28:46,474   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25
2025-08-31T09:28:46,477   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26
2025-08-31T09:28:46,478   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26
2025-08-31T09:28:46,480   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1
2025-08-31T09:28:46,481   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1
2025-08-31T09:28:46,484   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52
2025-08-31T09:28:46,485   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52
2025-08-31T09:28:46,487   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66
2025-08-31T09:28:46,488   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66
2025-08-31T09:28:46,491   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94
2025-08-31T09:28:46,492   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94
2025-08-31T09:28:46,494   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73
2025-08-31T09:28:46,495   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73
2025-08-31T09:28:46,498   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13
2025-08-31T09:28:46,499   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13
2025-08-31T09:28:46,501   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97
2025-08-31T09:28:46,503   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97
2025-08-31T09:28:46,505   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45
2025-08-31T09:28:46,506   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45
2025-08-31T09:28:46,509   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62
2025-08-31T09:28:46,510   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62
2025-08-31T09:28:46,513   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18
2025-08-31T09:28:46,514   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18
2025-08-31T09:28:46,516   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58
2025-08-31T09:28:46,518   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58
2025-08-31T09:28:46,520   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104
2025-08-31T09:28:46,521   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104
2025-08-31T09:28:46,524   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40
2025-08-31T09:28:46,525   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40
2025-08-31T09:28:46,528   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126
2025-08-31T09:28:46,529   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126
2025-08-31T09:28:46,532   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61
2025-08-31T09:28:46,533   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61
2025-08-31T09:28:46,535   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30
2025-08-31T09:28:46,536   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30
2025-08-31T09:28:46,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21
2025-08-31T09:28:46,540   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21
2025-08-31T09:28:46,542   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106
2025-08-31T09:28:46,544   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106
2025-08-31T09:28:46,546   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100
2025-08-31T09:28:46,547   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100
2025-08-31T09:28:46,550   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57
2025-08-31T09:28:46,551   copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57
2025-08-31T09:28:46,553   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23
2025-08-31T09:28:46,555   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23
2025-08-31T09:28:46,557   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B
2025-08-31T09:28:46,559   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B
2025-08-31T09:28:46,561   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A
2025-08-31T09:28:46,562   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A
2025-08-31T09:28:46,565   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A
2025-08-31T09:28:46,566   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A
2025-08-31T09:28:46,569   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A
2025-08-31T09:28:46,570   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A
2025-08-31T09:28:46,572   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22
2025-08-31T09:28:46,573   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22
2025-08-31T09:28:46,576   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B
2025-08-31T09:28:46,578   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B
2025-08-31T09:28:46,582   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B
2025-08-31T09:28:46,584   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B
2025-08-31T09:28:46,586   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B
2025-08-31T09:28:46,587   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B
2025-08-31T09:28:46,590   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A
2025-08-31T09:28:46,591   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A
2025-08-31T09:28:46,594   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24
2025-08-31T09:28:46,595   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24
2025-08-31T09:28:46,598   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25
2025-08-31T09:28:46,599   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25
2025-08-31T09:28:46,602   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B
2025-08-31T09:28:46,603   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B
2025-08-31T09:28:46,605   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26
2025-08-31T09:28:46,607   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26
2025-08-31T09:28:46,609   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A
2025-08-31T09:28:46,610   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A
2025-08-31T09:28:46,613   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27
2025-08-31T09:28:46,614   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27
2025-08-31T09:28:46,616   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B
2025-08-31T09:28:46,618   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B
2025-08-31T09:28:46,620   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A
2025-08-31T09:28:46,621   copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A
2025-08-31T09:28:46,624   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23
2025-08-31T09:28:46,625   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23
2025-08-31T09:28:46,628   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43
2025-08-31T09:28:46,629   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43
2025-08-31T09:28:46,632   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48
2025-08-31T09:28:46,633   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48
2025-08-31T09:28:46,635   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11
2025-08-31T09:28:46,637   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11
2025-08-31T09:28:46,639   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31
2025-08-31T09:28:46,640   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31
2025-08-31T09:28:46,643   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15
2025-08-31T09:28:46,644   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15
2025-08-31T09:28:46,647   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20
2025-08-31T09:28:46,648   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20
2025-08-31T09:28:46,650   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6
2025-08-31T09:28:46,652   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6
2025-08-31T09:28:46,654   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36
2025-08-31T09:28:46,655   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36
2025-08-31T09:28:46,658   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8
2025-08-31T09:28:46,659   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8
2025-08-31T09:28:46,662   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9
2025-08-31T09:28:46,663   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9
2025-08-31T09:28:46,666   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47
2025-08-31T09:28:46,667   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47
2025-08-31T09:28:46,670   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32
2025-08-31T09:28:46,671   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32
2025-08-31T09:28:46,673   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39
2025-08-31T09:28:46,675   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39
2025-08-31T09:28:46,677   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14
2025-08-31T09:28:46,679   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14
2025-08-31T09:28:46,684   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34
2025-08-31T09:28:46,685   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34
2025-08-31T09:28:46,688   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38
2025-08-31T09:28:46,689   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38
2025-08-31T09:28:46,692   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22
2025-08-31T09:28:46,693   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22
2025-08-31T09:28:46,696   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51
2025-08-31T09:28:46,697   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51
2025-08-31T09:28:46,700   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29
2025-08-31T09:28:46,701   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29
2025-08-31T09:28:46,704   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2
2025-08-31T09:28:46,705   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2
2025-08-31T09:28:46,708   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19
2025-08-31T09:28:46,710   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19
2025-08-31T09:28:46,713   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24
2025-08-31T09:28:46,714   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24
2025-08-31T09:28:46,717   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33
2025-08-31T09:28:46,718   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33
2025-08-31T09:28:46,720   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25
2025-08-31T09:28:46,722   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25
2025-08-31T09:28:46,724   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28
2025-08-31T09:28:46,725   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28
2025-08-31T09:28:46,728   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35
2025-08-31T09:28:46,729   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35
2025-08-31T09:28:46,732   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50
2025-08-31T09:28:46,733   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50
2025-08-31T09:28:46,736   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16
2025-08-31T09:28:46,737   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16
2025-08-31T09:28:46,740   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26
2025-08-31T09:28:46,741   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26
2025-08-31T09:28:46,744   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1
2025-08-31T09:28:46,745   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1
2025-08-31T09:28:46,747   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52
2025-08-31T09:28:46,749   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52
2025-08-31T09:28:46,751   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10
2025-08-31T09:28:46,752   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10
2025-08-31T09:28:46,755   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5
2025-08-31T09:28:46,756   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5
2025-08-31T09:28:46,758   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41
2025-08-31T09:28:46,760   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41
2025-08-31T09:28:46,762   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37
2025-08-31T09:28:46,763   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37
2025-08-31T09:28:46,766   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49
2025-08-31T09:28:46,767   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49
2025-08-31T09:28:46,769   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12
2025-08-31T09:28:46,771   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12
2025-08-31T09:28:46,773   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13
2025-08-31T09:28:46,774   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13
2025-08-31T09:28:46,777   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45
2025-08-31T09:28:46,778   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45
2025-08-31T09:28:46,780   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18
2025-08-31T09:28:46,782   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18
2025-08-31T09:28:46,784   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7
2025-08-31T09:28:46,785   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7
2025-08-31T09:28:46,788   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40
2025-08-31T09:28:46,789   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40
2025-08-31T09:28:46,792   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30
2025-08-31T09:28:46,793   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30
2025-08-31T09:28:46,796   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21
2025-08-31T09:28:46,797   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21
2025-08-31T09:28:46,800   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27
2025-08-31T09:28:46,801   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27
2025-08-31T09:28:46,804   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3
2025-08-31T09:28:46,805   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3
2025-08-31T09:28:46,807   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44
2025-08-31T09:28:46,809   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44
2025-08-31T09:28:46,811   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42
2025-08-31T09:28:46,813   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42
2025-08-31T09:28:46,815   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46
2025-08-31T09:28:46,817   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46
2025-08-31T09:28:46,819   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4
2025-08-31T09:28:46,820   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4
2025-08-31T09:28:46,823   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17
2025-08-31T09:28:46,824   copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17
2025-08-31T09:28:46,827   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4
2025-08-31T09:28:46,829   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4
2025-08-31T09:28:46,831   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:28:46,832   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:28:46,835   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm
2025-08-31T09:28:46,836   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm
2025-08-31T09:28:46,838   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:28:46,839   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:28:46,842   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:28:46,843   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:28:46,846   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:28:46,847   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:28:46,850   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:28:46,851   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:28:46,853   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:28:46,855   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:28:46,857   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:28:46,858   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:28:46,861   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:28:46,862   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:28:46,865   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es
2025-08-31T09:28:46,866   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es
2025-08-31T09:28:46,869   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:28:46,870   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:28:46,873   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3
2025-08-31T09:28:46,874   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3
2025-08-31T09:28:46,877   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b
2025-08-31T09:28:46,879   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b
2025-08-31T09:28:46,882   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:28:46,883   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:28:46,885   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2
2025-08-31T09:28:46,887   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2
2025-08-31T09:28:46,890   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20
2025-08-31T09:28:46,891   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20
2025-08-31T09:28:46,893   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:28:46,895   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:28:46,897   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:28:46,898   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:28:46,901   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5
2025-08-31T09:28:46,902   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5
2025-08-31T09:28:46,904   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:28:46,906   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:28:46,908   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:28:46,910   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:28:46,912   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:28:46,914   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:28:46,916   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op
2025-08-31T09:28:46,917   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op
2025-08-31T09:28:46,920   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c
2025-08-31T09:28:46,921   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c
2025-08-31T09:28:46,923   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:28:46,925   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:28:46,927   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:28:46,928   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:28:46,931   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O
2025-08-31T09:28:46,932   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O
2025-08-31T09:28:46,934   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:28:46,936   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:28:46,938   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6
2025-08-31T09:28:46,940   copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6
2025-08-31T09:28:46,942   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:28:46,944   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:28:46,946   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi
2025-08-31T09:28:46,948   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi
2025-08-31T09:28:46,950   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:28:46,951   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:28:46,953   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:28:46,955   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:28:46,957   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:28:46,958   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:28:46,961   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:28:46,962   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:28:46,964   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:28:46,965   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:28:46,968   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:28:46,969   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:28:46,971   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:28:46,973   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:28:46,975   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2
2025-08-31T09:28:46,976   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2
2025-08-31T09:28:46,979   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:28:46,980   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:28:46,983   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:28:46,984   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:28:46,987   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:28:46,988   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:28:46,990   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:28:46,992   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:28:46,994   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:28:46,995   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:28:46,998   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr
2025-08-31T09:28:46,999   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr
2025-08-31T09:28:47,001   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:28:47,003   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:28:47,005   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:28:47,006   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:28:47,009   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:28:47,010   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:28:47,012   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:28:47,013   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:28:47,016   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:28:47,017   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:28:47,020   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:28:47,021   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:28:47,023   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o
2025-08-31T09:28:47,024   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o
2025-08-31T09:28:47,027   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:28:47,028   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:28:47,031   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:28:47,032   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:28:47,034   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:28:47,035   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:28:47,038   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:28:47,039   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:28:47,042   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s
2025-08-31T09:28:47,043   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s
2025-08-31T09:28:47,046   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:28:47,047   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:28:47,050   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:28:47,051   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:28:47,054   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:28:47,055   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:28:47,058   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:28:47,059   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:28:47,062   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:28:47,063   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:28:47,066   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:28:47,067   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:28:47,070   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3
2025-08-31T09:28:47,071   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3
2025-08-31T09:28:47,074   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:28:47,075   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:28:47,078   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl
2025-08-31T09:28:47,080   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl
2025-08-31T09:28:47,082   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3
2025-08-31T09:28:47,084   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3
2025-08-31T09:28:47,087   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p
2025-08-31T09:28:47,089   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p
2025-08-31T09:28:47,092   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d
2025-08-31T09:28:47,095   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d
2025-08-31T09:28:47,099   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a
2025-08-31T09:28:47,100   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a
2025-08-31T09:28:47,103   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a
2025-08-31T09:28:47,104   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a
2025-08-31T09:28:47,107   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m
2025-08-31T09:28:47,109   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m
2025-08-31T09:28:47,111   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p
2025-08-31T09:28:47,112   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p
2025-08-31T09:28:47,115   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p
2025-08-31T09:28:47,116   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p
2025-08-31T09:28:47,119   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a
2025-08-31T09:28:47,120   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a
2025-08-31T09:28:47,123   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f
2025-08-31T09:28:47,125   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f
2025-08-31T09:28:47,128   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p
2025-08-31T09:28:47,129   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p
2025-08-31T09:28:47,132   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a
2025-08-31T09:28:47,133   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a
2025-08-31T09:28:47,136   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a
2025-08-31T09:28:47,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a
2025-08-31T09:28:47,140   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d
2025-08-31T09:28:47,141   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d
2025-08-31T09:28:47,143   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b
2025-08-31T09:28:47,145   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b
2025-08-31T09:28:47,147   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g
2025-08-31T09:28:47,148   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g
2025-08-31T09:28:47,151   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b
2025-08-31T09:28:47,152   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b
2025-08-31T09:28:47,154   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa
2025-08-31T09:28:47,155   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa
2025-08-31T09:28:47,158   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e
2025-08-31T09:28:47,159   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e
2025-08-31T09:28:47,162   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b
2025-08-31T09:28:47,163   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b
2025-08-31T09:28:47,166   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b
2025-08-31T09:28:47,167   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b
2025-08-31T09:28:47,170   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a
2025-08-31T09:28:47,172   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a
2025-08-31T09:28:47,175   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z
2025-08-31T09:28:47,176   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z
2025-08-31T09:28:47,179   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c
2025-08-31T09:28:47,180   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c
2025-08-31T09:28:47,182   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h
2025-08-31T09:28:47,184   copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h
2025-08-31T09:28:47,186   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:28:47,188   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:28:47,190   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:28:47,191   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:28:47,193   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:28:47,195   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:28:47,197   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:28:47,198   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:28:47,200   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:28:47,202   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:28:47,204   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:28:47,205   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:28:47,208   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:28:47,210   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:28:47,212   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:28:47,214   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:28:47,216   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N
2025-08-31T09:28:47,217   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N
2025-08-31T09:28:47,219   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:28:47,221   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:28:47,223   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:28:47,224   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:28:47,226   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O
2025-08-31T09:28:47,227   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O
2025-08-31T09:28:47,230   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:28:47,231   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:28:47,233   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:28:47,235   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:28:47,237   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N
2025-08-31T09:28:47,238   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N
2025-08-31T09:28:47,240   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:28:47,242   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:28:47,244   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O
2025-08-31T09:28:47,245   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O
2025-08-31T09:28:47,247   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N
2025-08-31T09:28:47,248   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N
2025-08-31T09:28:47,251   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:28:47,252   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:28:47,254   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:28:47,255   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:28:47,257   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N
2025-08-31T09:28:47,259   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N
2025-08-31T09:28:47,261   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:28:47,262   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:28:47,265   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL
2025-08-31T09:28:47,266   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL
2025-08-31T09:28:47,268   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:28:47,269   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:28:47,272   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:28:47,273   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:28:47,276   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:28:47,277   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:28:47,279   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O
2025-08-31T09:28:47,280   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O
2025-08-31T09:28:47,282   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:28:47,284   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:28:47,286   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:28:47,287   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:28:47,289   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O
2025-08-31T09:28:47,291   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O
2025-08-31T09:28:47,293   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL
2025-08-31T09:28:47,294   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL
2025-08-31T09:28:47,296   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:28:47,297   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:28:47,300   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL
2025-08-31T09:28:47,301   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL
2025-08-31T09:28:47,303   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL
2025-08-31T09:28:47,304   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL
2025-08-31T09:28:47,307   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:28:47,308   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:28:47,310   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:28:47,311   copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:28:47,314   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS
2025-08-31T09:28:47,315   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS
2025-08-31T09:28:47,318   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3
2025-08-31T09:28:47,319   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3
2025-08-31T09:28:47,321   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:28:47,323   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:28:47,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:28:47,326   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:28:47,329   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:28:47,330   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:28:47,333   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:28:47,334   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:28:47,337   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS
2025-08-31T09:28:47,338   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS
2025-08-31T09:28:47,340   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:28:47,341   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:28:47,344   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:28:47,345   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:28:47,347   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:28:47,348   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:28:47,351   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:28:47,352   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:28:47,354   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:28:47,356   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:28:47,358   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:28:47,359   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:28:47,362   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene
2025-08-31T09:28:47,363   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene
2025-08-31T09:28:47,366   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:28:47,367   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:28:47,369   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:28:47,370   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:28:47,373   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether
2025-08-31T09:28:47,374   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether
2025-08-31T09:28:47,376   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:28:47,378   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:28:47,380   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3
2025-08-31T09:28:47,381   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3
2025-08-31T09:28:47,384   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS
2025-08-31T09:28:47,385   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS
2025-08-31T09:28:47,388   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:28:47,389   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:28:47,391   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:28:47,393   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:28:47,395   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:28:47,396   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:28:47,400   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph
2025-08-31T09:28:47,402   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph
2025-08-31T09:28:47,404   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:28:47,405   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:28:47,408   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene
2025-08-31T09:28:47,409   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene
2025-08-31T09:28:47,411   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:28:47,413   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:28:47,415   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS
2025-08-31T09:28:47,416   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS
2025-08-31T09:28:47,419   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:28:47,420   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:28:47,423   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:28:47,424   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:28:47,426   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S
2025-08-31T09:28:47,428   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S
2025-08-31T09:28:47,430   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:28:47,431   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:28:47,434   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3
2025-08-31T09:28:47,435   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3
2025-08-31T09:28:47,437   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3
2025-08-31T09:28:47,439   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3
2025-08-31T09:28:47,441   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:28:47,442   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:28:47,445   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:28:47,446   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:28:47,449   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3
2025-08-31T09:28:47,450   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3
2025-08-31T09:28:47,453   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:28:47,454   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:28:47,457   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:28:47,458   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:28:47,460   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:28:47,461   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:28:47,464   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether
2025-08-31T09:28:47,465   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether
2025-08-31T09:28:47,467   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:28:47,469   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:28:47,473   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:28:47,474   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:28:47,477   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O
2025-08-31T09:28:47,478   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O
2025-08-31T09:28:47,480   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:28:47,482   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:28:47,484   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:28:47,485   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:28:47,488   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2
2025-08-31T09:28:47,489   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2
2025-08-31T09:28:47,491   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:28:47,493   copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:28:47,495   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2
2025-08-31T09:28:47,497   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2
2025-08-31T09:28:47,500   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4
2025-08-31T09:28:47,501   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4
2025-08-31T09:28:47,503   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6
2025-08-31T09:28:47,504   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6
2025-08-31T09:28:47,507   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3
2025-08-31T09:28:47,508   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3
2025-08-31T09:28:47,510   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2
2025-08-31T09:28:47,512   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2
2025-08-31T09:28:47,514   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e
2025-08-31T09:28:47,515   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e
2025-08-31T09:28:47,518   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1
2025-08-31T09:28:47,519   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1
2025-08-31T09:28:47,522   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3
2025-08-31T09:28:47,523   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3
2025-08-31T09:28:47,525   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1
2025-08-31T09:28:47,526   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1
2025-08-31T09:28:47,529   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1
2025-08-31T09:28:47,530   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1
2025-08-31T09:28:47,532   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e
2025-08-31T09:28:47,533   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e
2025-08-31T09:28:47,536   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e
2025-08-31T09:28:47,537   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e
2025-08-31T09:28:47,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3
2025-08-31T09:28:47,541   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3
2025-08-31T09:28:47,543   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr
2025-08-31T09:28:47,544   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr
2025-08-31T09:28:47,546   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1
2025-08-31T09:28:47,548   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1
2025-08-31T09:28:47,550   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e
2025-08-31T09:28:47,551   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e
2025-08-31T09:28:47,553   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2
2025-08-31T09:28:47,555   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2
2025-08-31T09:28:47,557   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p
2025-08-31T09:28:47,558   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p
2025-08-31T09:28:47,561   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1
2025-08-31T09:28:47,562   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1
2025-08-31T09:28:47,564   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e
2025-08-31T09:28:47,566   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e
2025-08-31T09:28:47,568   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1
2025-08-31T09:28:47,570   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1
2025-08-31T09:28:47,572   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2
2025-08-31T09:28:47,573   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2
2025-08-31T09:28:47,576   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1
2025-08-31T09:28:47,577   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1
2025-08-31T09:28:47,579   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e
2025-08-31T09:28:47,581   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e
2025-08-31T09:28:47,583   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1
2025-08-31T09:28:47,584   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1
2025-08-31T09:28:47,587   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e
2025-08-31T09:28:47,588   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e
2025-08-31T09:28:47,590   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me
2025-08-31T09:28:47,592   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me
2025-08-31T09:28:47,594   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3
2025-08-31T09:28:47,595   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3
2025-08-31T09:28:47,597   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2
2025-08-31T09:28:47,599   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2
2025-08-31T09:28:47,601   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p
2025-08-31T09:28:47,602   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p
2025-08-31T09:28:47,604   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5
2025-08-31T09:28:47,606   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5
2025-08-31T09:28:47,608   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e
2025-08-31T09:28:47,609   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e
2025-08-31T09:28:47,611   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene
2025-08-31T09:28:47,613   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene
2025-08-31T09:28:47,615   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e
2025-08-31T09:28:47,616   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e
2025-08-31T09:28:47,619   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1
2025-08-31T09:28:47,620   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1
2025-08-31T09:28:47,622   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e
2025-08-31T09:28:47,624   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e
2025-08-31T09:28:47,626   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int
2025-08-31T09:28:47,627   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int
2025-08-31T09:28:47,630   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2
2025-08-31T09:28:47,631   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2
2025-08-31T09:28:47,633   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3
2025-08-31T09:28:47,634   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3
2025-08-31T09:28:47,637   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2
2025-08-31T09:28:47,638   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2
2025-08-31T09:28:47,640   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3
2025-08-31T09:28:47,642   copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3
2025-08-31T09:28:47,644   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29
2025-08-31T09:28:47,646   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29
2025-08-31T09:28:47,649   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28
2025-08-31T09:28:47,650   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28
2025-08-31T09:28:47,652   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20
2025-08-31T09:28:47,654   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20
2025-08-31T09:28:47,656   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9
2025-08-31T09:28:47,657   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9
2025-08-31T09:28:47,659   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33
2025-08-31T09:28:47,660   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33
2025-08-31T09:28:47,663   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24
2025-08-31T09:28:47,664   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24
2025-08-31T09:28:47,666   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11
2025-08-31T09:28:47,667   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11
2025-08-31T09:28:47,670   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41
2025-08-31T09:28:47,671   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41
2025-08-31T09:28:47,673   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15
2025-08-31T09:28:47,674   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15
2025-08-31T09:28:47,677   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16
2025-08-31T09:28:47,678   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16
2025-08-31T09:28:47,680   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38
2025-08-31T09:28:47,681   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38
2025-08-31T09:28:47,684   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36
2025-08-31T09:28:47,685   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36
2025-08-31T09:28:47,687   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19
2025-08-31T09:28:47,689   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19
2025-08-31T09:28:47,691   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32
2025-08-31T09:28:47,692   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32
2025-08-31T09:28:47,695   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8
2025-08-31T09:28:47,696   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8
2025-08-31T09:28:47,698   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40
2025-08-31T09:28:47,699   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40
2025-08-31T09:28:47,702   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34
2025-08-31T09:28:47,703   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34
2025-08-31T09:28:47,705   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7
2025-08-31T09:28:47,706   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7
2025-08-31T09:28:47,709   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24
2025-08-31T09:28:47,710   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24
2025-08-31T09:28:47,712   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39
2025-08-31T09:28:47,714   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39
2025-08-31T09:28:47,716   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17
2025-08-31T09:28:47,717   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17
2025-08-31T09:28:47,720   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12
2025-08-31T09:28:47,721   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12
2025-08-31T09:28:47,723   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35
2025-08-31T09:28:47,724   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35
2025-08-31T09:28:47,727   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21
2025-08-31T09:28:47,728   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21
2025-08-31T09:28:47,730   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44
2025-08-31T09:28:47,731   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44
2025-08-31T09:28:47,734   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25
2025-08-31T09:28:47,735   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25
2025-08-31T09:28:47,737   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1
2025-08-31T09:28:47,739   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1
2025-08-31T09:28:47,741   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23
2025-08-31T09:28:47,742   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23
2025-08-31T09:28:47,745   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37
2025-08-31T09:28:47,746   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37
2025-08-31T09:28:47,749   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13
2025-08-31T09:28:47,750   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13
2025-08-31T09:28:47,752   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44
2025-08-31T09:28:47,754   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44
2025-08-31T09:28:47,756   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36
2025-08-31T09:28:47,757   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36
2025-08-31T09:28:47,759   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4
2025-08-31T09:28:47,761   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4
2025-08-31T09:28:47,763   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5
2025-08-31T09:28:47,764   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5
2025-08-31T09:28:47,766   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13
2025-08-31T09:28:47,768   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13
2025-08-31T09:28:47,770   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33
2025-08-31T09:28:47,771   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33
2025-08-31T09:28:47,774   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39
2025-08-31T09:28:47,775   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39
2025-08-31T09:28:47,778   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15
2025-08-31T09:28:47,779   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15
2025-08-31T09:28:47,781   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31
2025-08-31T09:28:47,782   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31
2025-08-31T09:28:47,785   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3
2025-08-31T09:28:47,786   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3
2025-08-31T09:28:47,788   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31
2025-08-31T09:28:47,790   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31
2025-08-31T09:28:47,792   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42
2025-08-31T09:28:47,793   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42
2025-08-31T09:28:47,795   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22
2025-08-31T09:28:47,796   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22
2025-08-31T09:28:47,799   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30
2025-08-31T09:28:47,800   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30
2025-08-31T09:28:47,803   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43
2025-08-31T09:28:47,804   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43
2025-08-31T09:28:47,806   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6
2025-08-31T09:28:47,807   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6
2025-08-31T09:28:47,810   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38
2025-08-31T09:28:47,811   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38
2025-08-31T09:28:47,813   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23
2025-08-31T09:28:47,814   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23
2025-08-31T09:28:47,817   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10
2025-08-31T09:28:47,818   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10
2025-08-31T09:28:47,820   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6
2025-08-31T09:28:47,822   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6
2025-08-31T09:28:47,824   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4
2025-08-31T09:28:47,825   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4
2025-08-31T09:28:47,828   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8
2025-08-31T09:28:47,829   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8
2025-08-31T09:28:47,831   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16
2025-08-31T09:28:47,832   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16
2025-08-31T09:28:47,835   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28
2025-08-31T09:28:47,836   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28
2025-08-31T09:28:47,839   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18
2025-08-31T09:28:47,840   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18
2025-08-31T09:28:47,842   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19
2025-08-31T09:28:47,843   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19
2025-08-31T09:28:47,846   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43
2025-08-31T09:28:47,847   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43
2025-08-31T09:28:47,849   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2
2025-08-31T09:28:47,851   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2
2025-08-31T09:28:47,853   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32
2025-08-31T09:28:47,854   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32
2025-08-31T09:28:47,856   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20
2025-08-31T09:28:47,857   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20
2025-08-31T09:28:47,860   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3
2025-08-31T09:28:47,861   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3
2025-08-31T09:28:47,863   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27
2025-08-31T09:28:47,864   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27
2025-08-31T09:28:47,866   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40
2025-08-31T09:28:47,868   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40
2025-08-31T09:28:47,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11
2025-08-31T09:28:47,871   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11
2025-08-31T09:28:47,873   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35
2025-08-31T09:28:47,874   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35
2025-08-31T09:28:47,877   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26
2025-08-31T09:28:47,878   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26
2025-08-31T09:28:47,880   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26
2025-08-31T09:28:47,881   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26
2025-08-31T09:28:47,883   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21
2025-08-31T09:28:47,885   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21
2025-08-31T09:28:47,887   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42
2025-08-31T09:28:47,888   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42
2025-08-31T09:28:47,890   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18
2025-08-31T09:28:47,892   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18
2025-08-31T09:28:47,894   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41
2025-08-31T09:28:47,895   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41
2025-08-31T09:28:47,898   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5
2025-08-31T09:28:47,899   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5
2025-08-31T09:28:47,901   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37
2025-08-31T09:28:47,903   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37
2025-08-31T09:28:47,905   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9
2025-08-31T09:28:47,906   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9
2025-08-31T09:28:47,909   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1
2025-08-31T09:28:47,910   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1
2025-08-31T09:28:47,912   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45
2025-08-31T09:28:47,913   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45
2025-08-31T09:28:47,916   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7
2025-08-31T09:28:47,917   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7
2025-08-31T09:28:47,919   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29
2025-08-31T09:28:47,920   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29
2025-08-31T09:28:47,922   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17
2025-08-31T09:28:47,924   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17
2025-08-31T09:28:47,926   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2
2025-08-31T09:28:47,927   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2
2025-08-31T09:28:47,929   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12
2025-08-31T09:28:47,931   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12
2025-08-31T09:28:47,933   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34
2025-08-31T09:28:47,934   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34
2025-08-31T09:28:47,936   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10
2025-08-31T09:28:47,937   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10
2025-08-31T09:28:47,940   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27
2025-08-31T09:28:47,941   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27
2025-08-31T09:28:47,943   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45
2025-08-31T09:28:47,944   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45
2025-08-31T09:28:47,946   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22
2025-08-31T09:28:47,948   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22
2025-08-31T09:28:47,950   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25
2025-08-31T09:28:47,951   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25
2025-08-31T09:28:47,954   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30
2025-08-31T09:28:47,955   copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30
2025-08-31T09:28:47,957   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:28:47,959   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:28:47,961   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:28:47,963   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:28:47,965   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:28:47,966   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:28:47,969   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6
2025-08-31T09:28:47,970   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6
2025-08-31T09:28:47,973   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5
2025-08-31T09:28:47,974   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5
2025-08-31T09:28:47,976   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2
2025-08-31T09:28:47,977   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2
2025-08-31T09:28:47,980   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:28:47,981   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:28:47,983   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:28:47,984   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:28:47,986   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:28:47,988   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:28:47,990   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:28:47,991   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:28:47,993   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4
2025-08-31T09:28:47,995   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4
2025-08-31T09:28:47,997   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6
2025-08-31T09:28:47,999   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6
2025-08-31T09:28:48,001   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts
2025-08-31T09:28:48,002   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts
2025-08-31T09:28:48,005   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:28:48,006   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
2025-08-31T09:28:48,009   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:28:48,010   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:28:48,013   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5
2025-08-31T09:28:48,014   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5
2025-08-31T09:28:48,016   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts
2025-08-31T09:28:48,017   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts
2025-08-31T09:28:48,020   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:28:48,021   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:28:48,024   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:28:48,025   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:28:48,028   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9
2025-08-31T09:28:48,029   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9
2025-08-31T09:28:48,031   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts
2025-08-31T09:28:48,032   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts
2025-08-31T09:28:48,035   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts
2025-08-31T09:28:48,036   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts
2025-08-31T09:28:48,038   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8
2025-08-31T09:28:48,040   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8
2025-08-31T09:28:48,042   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:28:48,043   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:28:48,045   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts
2025-08-31T09:28:48,047   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts
2025-08-31T09:28:48,049   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r
2025-08-31T09:28:48,050   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r
2025-08-31T09:28:48,052   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:28:48,054   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:28:48,056   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:28:48,057   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:28:48,059   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r
2025-08-31T09:28:48,061   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r
2025-08-31T09:28:48,063   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3
2025-08-31T09:28:48,064   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3
2025-08-31T09:28:48,067   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts
2025-08-31T09:28:48,068   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts
2025-08-31T09:28:48,070   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts
2025-08-31T09:28:48,072   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts
2025-08-31T09:28:48,074   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts
2025-08-31T09:28:48,075   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts
2025-08-31T09:28:48,078   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:28:48,079   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:28:48,081   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r
2025-08-31T09:28:48,083   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r
2025-08-31T09:28:48,085   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10
2025-08-31T09:28:48,086   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10
2025-08-31T09:28:48,089   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:28:48,090   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:28:48,093   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r
2025-08-31T09:28:48,094   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r
2025-08-31T09:28:48,096   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r
2025-08-31T09:28:48,097   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r
2025-08-31T09:28:48,100   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:28:48,101   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:28:48,103   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:28:48,104   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:28:48,107   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r
2025-08-31T09:28:48,108   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r
2025-08-31T09:28:48,110   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r
2025-08-31T09:28:48,111   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r
2025-08-31T09:28:48,114   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4
2025-08-31T09:28:48,115   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4
2025-08-31T09:28:48,117   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r
2025-08-31T09:28:48,118   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r
2025-08-31T09:28:48,121   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1
2025-08-31T09:28:48,122   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1
2025-08-31T09:28:48,124   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7
2025-08-31T09:28:48,125   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7
2025-08-31T09:28:48,128   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:28:48,129   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:28:48,132   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2
2025-08-31T09:28:48,133   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2
2025-08-31T09:28:48,135   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11
2025-08-31T09:28:48,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11
2025-08-31T09:28:48,139   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:28:48,140   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:28:48,143   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:28:48,144   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:28:48,146   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:28:48,148   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:28:48,150   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9
2025-08-31T09:28:48,152   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9
2025-08-31T09:28:48,154   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1
2025-08-31T09:28:48,155   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1
2025-08-31T09:28:48,158   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts
2025-08-31T09:28:48,159   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts
2025-08-31T09:28:48,161   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:28:48,162   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:28:48,165   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7
2025-08-31T09:28:48,166   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7
2025-08-31T09:28:48,168   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:28:48,170   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
2025-08-31T09:28:48,172   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3
2025-08-31T09:28:48,173   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3
2025-08-31T09:28:48,175   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8
2025-08-31T09:28:48,176   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8
2025-08-31T09:28:48,179   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:28:48,181   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:28:48,183   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:28:48,184   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:28:48,187   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:28:48,188   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:28:48,190   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:28:48,192   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:28:48,194   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:28:48,195   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:28:48,197   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h
2025-08-31T09:28:48,199   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h
2025-08-31T09:28:48,201   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:28:48,202   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:28:48,204   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:28:48,206   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:28:48,208   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:28:48,210   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:28:48,212   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:28:48,213   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:28:48,216   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:28:48,217   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:28:48,219   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o
2025-08-31T09:28:48,221   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o
2025-08-31T09:28:48,223   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:28:48,224   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:28:48,226   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:28:48,228   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:28:48,230   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:28:48,231   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:28:48,234   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:28:48,235   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:28:48,237   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:28:48,239   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:28:48,241   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+
2025-08-31T09:28:48,242   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+
2025-08-31T09:28:48,244   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:28:48,246   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:28:48,248   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:28:48,249   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:28:48,252   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:28:48,253   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:28:48,255   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3
2025-08-31T09:28:48,256   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3
2025-08-31T09:28:48,259   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he
2025-08-31T09:28:48,260   copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he
2025-08-31T09:28:48,262   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f
2025-08-31T09:28:48,264   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f
2025-08-31T09:28:48,267   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2
2025-08-31T09:28:48,268   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2
2025-08-31T09:28:48,271   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l
2025-08-31T09:28:48,272   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l
2025-08-31T09:28:48,274   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer
2025-08-31T09:28:48,276   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer
2025-08-31T09:28:48,279   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant
2025-08-31T09:28:48,280   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant
2025-08-31T09:28:48,283   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene
2025-08-31T09:28:48,284   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene
2025-08-31T09:28:48,287   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1
2025-08-31T09:28:48,289   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1
2025-08-31T09:28:48,291   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22
2025-08-31T09:28:48,292   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22
2025-08-31T09:28:48,295   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l
2025-08-31T09:28:48,296   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l
2025-08-31T09:28:48,298   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1
2025-08-31T09:28:48,299   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1
2025-08-31T09:28:48,302   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2
2025-08-31T09:28:48,303   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2
2025-08-31T09:28:48,305   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f
2025-08-31T09:28:48,306   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f
2025-08-31T09:28:48,309   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2
2025-08-31T09:28:48,310   copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2
2025-08-31T09:28:48,313   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:28:48,314   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:28:48,317   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:28:48,318   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:28:48,320   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:28:48,322   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:28:48,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:28:48,326   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:28:48,329   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:28:48,331   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:28:48,333   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:28:48,335   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:28:48,337   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:28:48,338   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:28:48,341   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:28:48,342   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:28:48,344   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:28:48,346   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:28:48,348   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:28:48,349   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:28:48,352   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:28:48,353   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:28:48,355   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:28:48,356   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:28:48,359   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:28:48,360   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:28:48,363   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:28:48,364   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:28:48,367   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:28:48,368   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:28:48,371   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:28:48,373   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:28:48,376   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:28:48,377   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:28:48,379   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:28:48,381   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:28:48,383   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:28:48,384   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:28:48,386   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:28:48,388   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:28:48,390   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:28:48,391   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:28:48,394   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:28:48,395   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:28:48,397   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:28:48,399   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:28:48,401   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:28:48,403   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:28:48,405   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:28:48,406   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:28:48,409   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:28:48,410   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:28:48,413   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:28:48,414   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:28:48,416   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:28:48,417   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:28:48,420   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:28:48,421   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:28:48,423   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:28:48,425   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:28:48,427   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:28:48,428   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:28:48,431   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:28:48,432   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:28:48,434   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:28:48,436   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:28:48,438   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:28:48,439   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:28:48,442   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:28:48,443   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:28:48,446   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:28:48,447   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:28:48,450   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:28:48,451   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:28:48,453   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:28:48,454   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:28:48,457   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:28:48,458   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:28:48,461   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:28:48,462   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:28:48,465   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:28:48,466   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:28:48,468   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:28:48,470   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:28:48,472   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:28:48,473   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:28:48,476   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:28:48,477   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:28:48,479   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:28:48,481   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:28:48,483   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:28:48,484   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:28:48,486   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:28:48,488   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:28:48,490   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:28:48,491   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:28:48,493   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:28:48,495   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:28:48,497   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:28:48,498   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:28:48,501   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:28:48,502   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:28:48,504   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:28:48,505   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:28:48,508   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:28:48,509   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:28:48,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:28:48,513   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:28:48,515   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:28:48,517   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:28:48,519   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:28:48,520   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:28:48,523   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:28:48,524   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:28:48,527   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:28:48,528   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:28:48,530   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:28:48,532   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:28:48,535   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:28:48,536   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:28:48,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:28:48,540   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:28:48,542   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:28:48,543   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:28:48,546   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:28:48,547   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:28:48,549   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:28:48,551   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:28:48,553   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:28:48,554   copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:28:48,557   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li
2025-08-31T09:28:48,558   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li
2025-08-31T09:28:48,561   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio
2025-08-31T09:28:48,562   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio
2025-08-31T09:28:48,565   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h
2025-08-31T09:28:48,566   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h
2025-08-31T09:28:48,568   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif
2025-08-31T09:28:48,570   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif
2025-08-31T09:28:48,572   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s
2025-08-31T09:28:48,574   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s
2025-08-31T09:28:48,576   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na
2025-08-31T09:28:48,577   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na
2025-08-31T09:28:48,580   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo
2025-08-31T09:28:48,582   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo
2025-08-31T09:28:48,585   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg
2025-08-31T09:28:48,586   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg
2025-08-31T09:28:48,589   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k
2025-08-31T09:28:48,590   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k
2025-08-31T09:28:48,592   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o
2025-08-31T09:28:48,593   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o
2025-08-31T09:28:48,596   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf
2025-08-31T09:28:48,597   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf
2025-08-31T09:28:48,600   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be
2025-08-31T09:28:48,601   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be
2025-08-31T09:28:48,603   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao
2025-08-31T09:28:48,605   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao
2025-08-31T09:28:48,607   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:28:48,608   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:28:48,611   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f
2025-08-31T09:28:48,612   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f
2025-08-31T09:28:48,614   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf
2025-08-31T09:28:48,615   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf
2025-08-31T09:28:48,617   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:28:48,619   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:28:48,621   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao
2025-08-31T09:28:48,622   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao
2025-08-31T09:28:48,624   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca
2025-08-31T09:28:48,625   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca
2025-08-31T09:28:48,628   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef
2025-08-31T09:28:48,629   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef
2025-08-31T09:28:48,631   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg
2025-08-31T09:28:48,633   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg
2025-08-31T09:28:48,635   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:28:48,637   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:28:48,639   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:28:48,640   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:28:48,643   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt
2025-08-31T09:28:48,644   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt
2025-08-31T09:28:48,646   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX
2025-08-31T09:28:48,648   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX
2025-08-31T09:28:48,650   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG
2025-08-31T09:28:48,651   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG
2025-08-31T09:28:48,654   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:28:48,655   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:28:48,657   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt
2025-08-31T09:28:48,659   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt
2025-08-31T09:28:48,661   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:28:48,662   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:28:48,665   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt
2025-08-31T09:28:48,666   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt
2025-08-31T09:28:48,669   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:28:48,670   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:28:48,673   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG
2025-08-31T09:28:48,674   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG
2025-08-31T09:28:48,676   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T
2025-08-31T09:28:48,677   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T
2025-08-31T09:28:48,680   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT
2025-08-31T09:28:48,681   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT
2025-08-31T09:28:48,683   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:28:48,684   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:28:48,687   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg
2025-08-31T09:28:48,688   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg
2025-08-31T09:28:48,690   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G
2025-08-31T09:28:48,692   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G
2025-08-31T09:28:48,694   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg
2025-08-31T09:28:48,695   copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg
2025-08-31T09:28:48,698   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23
2025-08-31T09:28:48,700   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23
2025-08-31T09:28:48,702   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11
2025-08-31T09:28:48,703   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11
2025-08-31T09:28:48,706   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b
2025-08-31T09:28:48,707   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b
2025-08-31T09:28:48,709   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15
2025-08-31T09:28:48,711   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15
2025-08-31T09:28:48,713   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a
2025-08-31T09:28:48,714   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a
2025-08-31T09:28:48,717   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a
2025-08-31T09:28:48,718   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a
2025-08-31T09:28:48,720   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20
2025-08-31T09:28:48,722   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20
2025-08-31T09:28:48,724   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6
2025-08-31T09:28:48,725   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6
2025-08-31T09:28:48,728   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b
2025-08-31T09:28:48,729   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b
2025-08-31T09:28:48,732   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b
2025-08-31T09:28:48,733   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b
2025-08-31T09:28:48,735   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8
2025-08-31T09:28:48,736   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8
2025-08-31T09:28:48,739   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9
2025-08-31T09:28:48,740   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9
2025-08-31T09:28:48,742   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b
2025-08-31T09:28:48,743   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b
2025-08-31T09:28:48,746   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a
2025-08-31T09:28:48,747   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a
2025-08-31T09:28:48,749   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a
2025-08-31T09:28:48,750   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a
2025-08-31T09:28:48,753   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a
2025-08-31T09:28:48,754   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a
2025-08-31T09:28:48,756   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14
2025-08-31T09:28:48,757   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14
2025-08-31T09:28:48,759   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b
2025-08-31T09:28:48,760   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b
2025-08-31T09:28:48,763   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22
2025-08-31T09:28:48,764   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22
2025-08-31T09:28:48,766   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b
2025-08-31T09:28:48,767   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b
2025-08-31T09:28:48,769   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b
2025-08-31T09:28:48,771   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b
2025-08-31T09:28:48,773   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a
2025-08-31T09:28:48,774   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a
2025-08-31T09:28:48,776   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a
2025-08-31T09:28:48,778   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a
2025-08-31T09:28:48,780   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a
2025-08-31T09:28:48,781   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a
2025-08-31T09:28:48,784   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b
2025-08-31T09:28:48,785   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b
2025-08-31T09:28:48,787   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a
2025-08-31T09:28:48,789   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a
2025-08-31T09:28:48,791   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2
2025-08-31T09:28:48,792   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2
2025-08-31T09:28:48,795   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19
2025-08-31T09:28:48,796   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19
2025-08-31T09:28:48,798   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a
2025-08-31T09:28:48,800   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a
2025-08-31T09:28:48,802   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b
2025-08-31T09:28:48,803   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b
2025-08-31T09:28:48,805   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16
2025-08-31T09:28:48,806   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16
2025-08-31T09:28:48,809   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b
2025-08-31T09:28:48,810   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b
2025-08-31T09:28:48,812   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a
2025-08-31T09:28:48,813   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a
2025-08-31T09:28:48,816   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1
2025-08-31T09:28:48,817   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1
2025-08-31T09:28:48,820   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b
2025-08-31T09:28:48,821   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b
2025-08-31T09:28:48,823   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a
2025-08-31T09:28:48,825   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a
2025-08-31T09:28:48,827   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b
2025-08-31T09:28:48,828   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b
2025-08-31T09:28:48,831   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a
2025-08-31T09:28:48,832   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a
2025-08-31T09:28:48,834   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a
2025-08-31T09:28:48,835   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a
2025-08-31T09:28:48,838   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b
2025-08-31T09:28:48,839   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b
2025-08-31T09:28:48,842   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10
2025-08-31T09:28:48,843   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10
2025-08-31T09:28:48,845   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5
2025-08-31T09:28:48,846   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5
2025-08-31T09:28:48,849   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a
2025-08-31T09:28:48,850   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a
2025-08-31T09:28:48,852   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b
2025-08-31T09:28:48,853   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b
2025-08-31T09:28:48,856   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b
2025-08-31T09:28:48,857   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b
2025-08-31T09:28:48,860   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b
2025-08-31T09:28:48,861   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b
2025-08-31T09:28:48,863   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b
2025-08-31T09:28:48,864   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b
2025-08-31T09:28:48,866   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a
2025-08-31T09:28:48,867   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a
2025-08-31T09:28:48,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a
2025-08-31T09:28:48,871   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a
2025-08-31T09:28:48,873   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12
2025-08-31T09:28:48,874   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12
2025-08-31T09:28:48,877   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a
2025-08-31T09:28:48,878   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a
2025-08-31T09:28:48,880   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a
2025-08-31T09:28:48,881   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a
2025-08-31T09:28:48,884   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13
2025-08-31T09:28:48,885   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13
2025-08-31T09:28:48,887   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b
2025-08-31T09:28:48,888   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b
2025-08-31T09:28:48,891   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a
2025-08-31T09:28:48,892   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a
2025-08-31T09:28:48,894   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a
2025-08-31T09:28:48,896   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a
2025-08-31T09:28:48,898   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18
2025-08-31T09:28:48,899   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18
2025-08-31T09:28:48,902   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7
2025-08-31T09:28:48,903   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7
2025-08-31T09:28:48,905   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b
2025-08-31T09:28:48,906   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b
2025-08-31T09:28:48,909   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a
2025-08-31T09:28:48,910   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a
2025-08-31T09:28:48,913   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b
2025-08-31T09:28:48,914   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b
2025-08-31T09:28:48,916   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21
2025-08-31T09:28:48,918   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21
2025-08-31T09:28:48,920   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b
2025-08-31T09:28:48,921   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b
2025-08-31T09:28:48,924   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3
2025-08-31T09:28:48,925   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3
2025-08-31T09:28:48,927   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a
2025-08-31T09:28:48,928   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a
2025-08-31T09:28:48,931   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b
2025-08-31T09:28:48,932   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b
2025-08-31T09:28:48,934   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4
2025-08-31T09:28:48,935   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4
2025-08-31T09:28:48,938   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17
2025-08-31T09:28:48,939   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17
2025-08-31T09:28:48,941   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b
2025-08-31T09:28:48,942   copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b
2025-08-31T09:28:48,945   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A
2025-08-31T09:28:48,947   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A
2025-08-31T09:28:48,950   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228
2025-08-31T09:28:48,951   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228
2025-08-31T09:28:48,953   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213
2025-08-31T09:28:48,955   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213
2025-08-31T09:28:48,957   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B
2025-08-31T09:28:48,959   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B
2025-08-31T09:28:48,961   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A
2025-08-31T09:28:48,962   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A
2025-08-31T09:28:48,965   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B
2025-08-31T09:28:48,966   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B
2025-08-31T09:28:48,969   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B
2025-08-31T09:28:48,970   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B
2025-08-31T09:28:48,972   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A
2025-08-31T09:28:48,973   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A
2025-08-31T09:28:48,976   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A
2025-08-31T09:28:48,977   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A
2025-08-31T09:28:48,980   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212
2025-08-31T09:28:48,981   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212
2025-08-31T09:28:48,984   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B
2025-08-31T09:28:48,985   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B
2025-08-31T09:28:48,988   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202
2025-08-31T09:28:48,989   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202
2025-08-31T09:28:48,992   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152
2025-08-31T09:28:48,993   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152
2025-08-31T09:28:48,995   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B
2025-08-31T09:28:48,996   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B
2025-08-31T09:28:48,999   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B
2025-08-31T09:28:49,000   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B
2025-08-31T09:28:49,002   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008
2025-08-31T09:28:49,004   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008
2025-08-31T09:28:49,006   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A
2025-08-31T09:28:49,007   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A
2025-08-31T09:28:49,010   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A
2025-08-31T09:28:49,011   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A
2025-08-31T09:28:49,013   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150
2025-08-31T09:28:49,015   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150
2025-08-31T09:28:49,017   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A
2025-08-31T09:28:49,018   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A
2025-08-31T09:28:49,021   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B
2025-08-31T09:28:49,022   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B
2025-08-31T09:28:49,024   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A
2025-08-31T09:28:49,026   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A
2025-08-31T09:28:49,028   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B
2025-08-31T09:28:49,029   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B
2025-08-31T09:28:49,032   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B
2025-08-31T09:28:49,033   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B
2025-08-31T09:28:49,035   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A
2025-08-31T09:28:49,037   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A
2025-08-31T09:28:49,039   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B
2025-08-31T09:28:49,040   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B
2025-08-31T09:28:49,043   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230
2025-08-31T09:28:49,044   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230
2025-08-31T09:28:49,047   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A
2025-08-31T09:28:49,048   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A
2025-08-31T09:28:49,051   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B
2025-08-31T09:28:49,052   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B
2025-08-31T09:28:49,055   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229
2025-08-31T09:28:49,056   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229
2025-08-31T09:28:49,058   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B
2025-08-31T09:28:49,059   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B
2025-08-31T09:28:49,062   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144
2025-08-31T09:28:49,063   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144
2025-08-31T09:28:49,065   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147
2025-08-31T09:28:49,066   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147
2025-08-31T09:28:49,069   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B
2025-08-31T09:28:49,070   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B
2025-08-31T09:28:49,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A
2025-08-31T09:28:49,074   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A
2025-08-31T09:28:49,076   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227
2025-08-31T09:28:49,077   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227
2025-08-31T09:28:49,080   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148
2025-08-31T09:28:49,081   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148
2025-08-31T09:28:49,084   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B
2025-08-31T09:28:49,085   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B
2025-08-31T09:28:49,087   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A
2025-08-31T09:28:49,089   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A
2025-08-31T09:28:49,091   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187
2025-08-31T09:28:49,092   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187
2025-08-31T09:28:49,095   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A
2025-08-31T09:28:49,096   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A
2025-08-31T09:28:49,099   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A
2025-08-31T09:28:49,100   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A
2025-08-31T09:28:49,103   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214
2025-08-31T09:28:49,104   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214
2025-08-31T09:28:49,106   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B
2025-08-31T09:28:49,108   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B
2025-08-31T09:28:49,110   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A
2025-08-31T09:28:49,112   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A
2025-08-31T09:28:49,114   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231
2025-08-31T09:28:49,115   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231
2025-08-31T09:28:49,118   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B
2025-08-31T09:28:49,119   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B
2025-08-31T09:28:49,122   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A
2025-08-31T09:28:49,123   copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A
2025-08-31T09:28:49,125   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A
2025-08-31T09:28:49,127   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A
2025-08-31T09:28:49,129   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B
2025-08-31T09:28:49,131   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B
2025-08-31T09:28:49,133   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A
2025-08-31T09:28:49,134   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A
2025-08-31T09:28:49,136   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11
2025-08-31T09:28:49,138   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11
2025-08-31T09:28:49,140   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B
2025-08-31T09:28:49,141   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B
2025-08-31T09:28:49,144   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A
2025-08-31T09:28:49,145   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A
2025-08-31T09:28:49,147   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A
2025-08-31T09:28:49,149   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A
2025-08-31T09:28:49,151   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A
2025-08-31T09:28:49,152   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A
2025-08-31T09:28:49,154   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B
2025-08-31T09:28:49,156   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B
2025-08-31T09:28:49,158   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15
2025-08-31T09:28:49,160   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15
2025-08-31T09:28:49,162   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A
2025-08-31T09:28:49,163   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A
2025-08-31T09:28:49,166   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A
2025-08-31T09:28:49,167   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A
2025-08-31T09:28:49,169   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20
2025-08-31T09:28:49,171   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20
2025-08-31T09:28:49,173   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6
2025-08-31T09:28:49,174   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6
2025-08-31T09:28:49,176   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A
2025-08-31T09:28:49,178   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A
2025-08-31T09:28:49,180   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8
2025-08-31T09:28:49,181   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8
2025-08-31T09:28:49,184   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9
2025-08-31T09:28:49,185   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9
2025-08-31T09:28:49,188   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B
2025-08-31T09:28:49,189   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B
2025-08-31T09:28:49,191   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B
2025-08-31T09:28:49,193   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B
2025-08-31T09:28:49,195   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B
2025-08-31T09:28:49,196   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B
2025-08-31T09:28:49,198   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A
2025-08-31T09:28:49,200   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A
2025-08-31T09:28:49,202   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14
2025-08-31T09:28:49,203   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14
2025-08-31T09:28:49,205   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B
2025-08-31T09:28:49,207   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B
2025-08-31T09:28:49,209   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A
2025-08-31T09:28:49,210   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A
2025-08-31T09:28:49,212   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B
2025-08-31T09:28:49,214   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B
2025-08-31T09:28:49,216   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A
2025-08-31T09:28:49,217   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A
2025-08-31T09:28:49,220   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B
2025-08-31T09:28:49,221   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B
2025-08-31T09:28:49,223   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A
2025-08-31T09:28:49,225   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A
2025-08-31T09:28:49,228   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A
2025-08-31T09:28:49,230   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A
2025-08-31T09:28:49,232   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B
2025-08-31T09:28:49,234   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B
2025-08-31T09:28:49,236   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B
2025-08-31T09:28:49,237   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B
2025-08-31T09:28:49,240   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B
2025-08-31T09:28:49,241   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B
2025-08-31T09:28:49,244   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2
2025-08-31T09:28:49,245   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2
2025-08-31T09:28:49,247   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19
2025-08-31T09:28:49,249   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19
2025-08-31T09:28:49,252   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B
2025-08-31T09:28:49,253   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B
2025-08-31T09:28:49,255   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B
2025-08-31T09:28:49,257   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B
2025-08-31T09:28:49,259   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16
2025-08-31T09:28:49,260   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16
2025-08-31T09:28:49,262   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1
2025-08-31T09:28:49,264   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1
2025-08-31T09:28:49,266   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B
2025-08-31T09:28:49,267   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B
2025-08-31T09:28:49,269   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B
2025-08-31T09:28:49,271   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B
2025-08-31T09:28:49,273   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B
2025-08-31T09:28:49,274   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B
2025-08-31T09:28:49,277   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A
2025-08-31T09:28:49,278   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A
2025-08-31T09:28:49,280   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B
2025-08-31T09:28:49,282   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B
2025-08-31T09:28:49,284   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A
2025-08-31T09:28:49,285   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A
2025-08-31T09:28:49,288   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10
2025-08-31T09:28:49,289   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10
2025-08-31T09:28:49,292   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5
2025-08-31T09:28:49,293   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5
2025-08-31T09:28:49,296   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A
2025-08-31T09:28:49,298   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A
2025-08-31T09:28:49,301   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A
2025-08-31T09:28:49,302   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A
2025-08-31T09:28:49,305   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A
2025-08-31T09:28:49,306   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A
2025-08-31T09:28:49,309   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12
2025-08-31T09:28:49,310   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12
2025-08-31T09:28:49,312   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13
2025-08-31T09:28:49,314   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13
2025-08-31T09:28:49,316   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18
2025-08-31T09:28:49,317   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18
2025-08-31T09:28:49,320   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7
2025-08-31T09:28:49,321   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7
2025-08-31T09:28:49,324   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B
2025-08-31T09:28:49,325   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B
2025-08-31T09:28:49,328   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B
2025-08-31T09:28:49,329   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B
2025-08-31T09:28:49,331   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A
2025-08-31T09:28:49,332   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A
2025-08-31T09:28:49,335   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21
2025-08-31T09:28:49,336   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21
2025-08-31T09:28:49,338   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B
2025-08-31T09:28:49,340   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B
2025-08-31T09:28:49,342   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3
2025-08-31T09:28:49,343   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3
2025-08-31T09:28:49,346   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A
2025-08-31T09:28:49,347   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A
2025-08-31T09:28:49,349   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A
2025-08-31T09:28:49,351   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A
2025-08-31T09:28:49,353   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4
2025-08-31T09:28:49,354   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4
2025-08-31T09:28:49,357   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17
2025-08-31T09:28:49,358   copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17
2025-08-31T09:28:49,361   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:28:49,363   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:28:49,365   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3
2025-08-31T09:28:49,367   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3
2025-08-31T09:28:49,370   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F
2025-08-31T09:28:49,371   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F
2025-08-31T09:28:49,374   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut
2025-08-31T09:28:49,375   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut
2025-08-31T09:28:49,377   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:28:49,379   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:28:49,381   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2
2025-08-31T09:28:49,383   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2
2025-08-31T09:28:49,386   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H
2025-08-31T09:28:49,388   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H
2025-08-31T09:28:49,391   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz
2025-08-31T09:28:49,393   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz
2025-08-31T09:28:49,396   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3
2025-08-31T09:28:49,397   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3
2025-08-31T09:28:49,400   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:28:49,401   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:28:49,404   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:28:49,405   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:28:49,407   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3
2025-08-31T09:28:49,409   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3
2025-08-31T09:28:49,411   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:28:49,413   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:28:49,416   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3
2025-08-31T09:28:49,417   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3
2025-08-31T09:28:49,420   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch
2025-08-31T09:28:49,421   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch
2025-08-31T09:28:49,423   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2
2025-08-31T09:28:49,425   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2
2025-08-31T09:28:49,427   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3
2025-08-31T09:28:49,428   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3
2025-08-31T09:28:49,431   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:28:49,432   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:28:49,434   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3
2025-08-31T09:28:49,436   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3
2025-08-31T09:28:49,438   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:28:49,439   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:28:49,442   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3
2025-08-31T09:28:49,443   copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3
2025-08-31T09:28:49,446   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:28:49,447   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:28:49,450   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8
2025-08-31T09:28:49,451   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8
2025-08-31T09:28:49,454   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c
2025-08-31T09:28:49,455   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c
2025-08-31T09:28:49,457   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:28:49,459   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:28:49,461   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+
2025-08-31T09:28:49,463   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+
2025-08-31T09:28:49,465   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:28:49,466   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:28:49,469   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2
2025-08-31T09:28:49,470   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2
2025-08-31T09:28:49,474   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:28:49,475   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:28:49,477   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4
2025-08-31T09:28:49,478   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4
2025-08-31T09:28:49,481   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8
2025-08-31T09:28:49,482   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8
2025-08-31T09:28:49,484   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+
2025-08-31T09:28:49,486   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+
2025-08-31T09:28:49,488   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch
2025-08-31T09:28:49,489   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch
2025-08-31T09:28:49,493   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2
2025-08-31T09:28:49,494   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2
2025-08-31T09:28:49,496   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me
2025-08-31T09:28:49,498   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me
2025-08-31T09:28:49,500   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me
2025-08-31T09:28:49,502   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me
2025-08-31T09:28:49,504   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2
2025-08-31T09:28:49,505   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2
2025-08-31T09:28:49,508   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h
2025-08-31T09:28:49,509   copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h
2025-08-31T09:28:49,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3
2025-08-31T09:28:49,513   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3
2025-08-31T09:28:49,516   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6
2025-08-31T09:28:49,517   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6
2025-08-31T09:28:49,520   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:28:49,521   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:28:49,523   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2
2025-08-31T09:28:49,525   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2
2025-08-31T09:28:49,527   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6
2025-08-31T09:28:49,529   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6
2025-08-31T09:28:49,531   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3
2025-08-31T09:28:49,533   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3
2025-08-31T09:28:49,535   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4
2025-08-31T09:28:49,536   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4
2025-08-31T09:28:49,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3
2025-08-31T09:28:49,540   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3
2025-08-31T09:28:49,542   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6
2025-08-31T09:28:49,544   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6
2025-08-31T09:28:49,546   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5
2025-08-31T09:28:49,547   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5
2025-08-31T09:28:49,550   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3
2025-08-31T09:28:49,551   copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3
2025-08-31T09:28:49,553   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:28:49,555   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:28:49,557   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:28:49,558   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:28:49,561   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:28:49,562   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:28:49,565   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:28:49,566   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:28:49,569   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s
2025-08-31T09:28:49,570   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s
2025-08-31T09:28:49,572   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:28:49,574   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:28:49,576   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:28:49,577   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:28:49,580   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2
2025-08-31T09:28:49,582   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2
2025-08-31T09:28:49,584   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:28:49,585   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:28:49,588   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:28:49,589   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:28:49,592   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3
2025-08-31T09:28:49,593   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3
2025-08-31T09:28:49,596   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3
2025-08-31T09:28:49,597   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3
2025-08-31T09:28:49,600   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:28:49,601   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:28:49,604   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:28:49,605   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:28:49,608   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:28:49,609   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:28:49,612   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3
2025-08-31T09:28:49,613   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3
2025-08-31T09:28:49,615   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:28:49,617   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:28:49,619   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:28:49,620   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:28:49,623   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:28:49,624   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:28:49,627   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s
2025-08-31T09:28:49,628   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s
2025-08-31T09:28:49,630   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3
2025-08-31T09:28:49,632   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3
2025-08-31T09:28:49,634   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:28:49,635   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:28:49,638   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:28:49,639   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:28:49,642   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:28:49,643   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:28:49,645   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3
2025-08-31T09:28:49,647   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3
2025-08-31T09:28:49,649   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22
2025-08-31T09:28:49,651   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22
2025-08-31T09:28:49,653   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:28:49,654   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:28:49,657   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s
2025-08-31T09:28:49,658   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s
2025-08-31T09:28:49,661   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3
2025-08-31T09:28:49,662   copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3
2025-08-31T09:28:49,665   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH
2025-08-31T09:28:49,667   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH
2025-08-31T09:28:49,669   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl
2025-08-31T09:28:49,670   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl
2025-08-31T09:28:49,672   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02
2025-08-31T09:28:49,674   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02
2025-08-31T09:28:49,676   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:28:49,677   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:28:49,680   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o
2025-08-31T09:28:49,681   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o
2025-08-31T09:28:49,684   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2
2025-08-31T09:28:49,685   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2
2025-08-31T09:28:49,687   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05
2025-08-31T09:28:49,688   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05
2025-08-31T09:28:49,691   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08
2025-08-31T09:28:49,692   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08
2025-08-31T09:28:49,694   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18
2025-08-31T09:28:49,696   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18
2025-08-31T09:28:49,698   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h
2025-08-31T09:28:49,699   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h
2025-08-31T09:28:49,702   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts
2025-08-31T09:28:49,703   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts
2025-08-31T09:28:49,706   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06
2025-08-31T09:28:49,707   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06
2025-08-31T09:28:49,709   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2
2025-08-31T09:28:49,711   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2
2025-08-31T09:28:49,713   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts
2025-08-31T09:28:49,714   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts
2025-08-31T09:28:49,717   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5
2025-08-31T09:28:49,718   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5
2025-08-31T09:28:49,721   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15
2025-08-31T09:28:49,722   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15
2025-08-31T09:28:49,725   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts
2025-08-31T09:28:49,726   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts
2025-08-31T09:28:49,729   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts
2025-08-31T09:28:49,730   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts
2025-08-31T09:28:49,733   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc
2025-08-31T09:28:49,734   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc
2025-08-31T09:28:49,736   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf
2025-08-31T09:28:49,737   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf
2025-08-31T09:28:49,741   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts
2025-08-31T09:28:49,742   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts
2025-08-31T09:28:49,744   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco
2025-08-31T09:28:49,745   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco
2025-08-31T09:28:49,748   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4
2025-08-31T09:28:49,749   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4
2025-08-31T09:28:49,752   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14
2025-08-31T09:28:49,753   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14
2025-08-31T09:28:49,755   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh
2025-08-31T09:28:49,757   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh
2025-08-31T09:28:49,759   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13
2025-08-31T09:28:49,760   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13
2025-08-31T09:28:49,763   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:28:49,764   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:28:49,766   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09
2025-08-31T09:28:49,769   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09
2025-08-31T09:28:49,771   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf
2025-08-31T09:28:49,772   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf
2025-08-31T09:28:49,775   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2
2025-08-31T09:28:49,776   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2
2025-08-31T09:28:49,779   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2
2025-08-31T09:28:49,780   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2
2025-08-31T09:28:49,782   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07
2025-08-31T09:28:49,784   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07
2025-08-31T09:28:49,786   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8
2025-08-31T09:28:49,787   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8
2025-08-31T09:28:49,790   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts
2025-08-31T09:28:49,791   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts
2025-08-31T09:28:49,793   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10
2025-08-31T09:28:49,795   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10
2025-08-31T09:28:49,797   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts
2025-08-31T09:28:49,798   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts
2025-08-31T09:28:49,801   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts
2025-08-31T09:28:49,802   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts
2025-08-31T09:28:49,804   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:28:49,806   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:28:49,809   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts
2025-08-31T09:28:49,810   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts
2025-08-31T09:28:49,812   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2
2025-08-31T09:28:49,813   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2
2025-08-31T09:28:49,816   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl
2025-08-31T09:28:49,817   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl
2025-08-31T09:28:49,819   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f
2025-08-31T09:28:49,821   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f
2025-08-31T09:28:49,823   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19
2025-08-31T09:28:49,824   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19
2025-08-31T09:28:49,827   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts
2025-08-31T09:28:49,828   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts
2025-08-31T09:28:49,831   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03
2025-08-31T09:28:49,832   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03
2025-08-31T09:28:49,834   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts
2025-08-31T09:28:49,836   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts
2025-08-31T09:28:49,838   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3
2025-08-31T09:28:49,839   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3
2025-08-31T09:28:49,842   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16
2025-08-31T09:28:49,843   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16
2025-08-31T09:28:49,845   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3
2025-08-31T09:28:49,847   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3
2025-08-31T09:28:49,849   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12
2025-08-31T09:28:49,850   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12
2025-08-31T09:28:49,853   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6
2025-08-31T09:28:49,854   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6
2025-08-31T09:28:49,856   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:28:49,857   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:28:49,860   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S
2025-08-31T09:28:49,861   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S
2025-08-31T09:28:49,863   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01
2025-08-31T09:28:49,865   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01
2025-08-31T09:28:49,867   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O
2025-08-31T09:28:49,868   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O
2025-08-31T09:28:49,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04
2025-08-31T09:28:49,872   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04
2025-08-31T09:28:49,874   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20
2025-08-31T09:28:49,875   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20
2025-08-31T09:28:49,877   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts
2025-08-31T09:28:49,879   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts
2025-08-31T09:28:49,881   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7
2025-08-31T09:28:49,882   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7
2025-08-31T09:28:49,885   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H
2025-08-31T09:28:49,886   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H
2025-08-31T09:28:49,888   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-
2025-08-31T09:28:49,889   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-
2025-08-31T09:28:49,892   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS
2025-08-31T09:28:49,893   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS
2025-08-31T09:28:49,896   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3
2025-08-31T09:28:49,897   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3
2025-08-31T09:28:49,899   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-
2025-08-31T09:28:49,901   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-
2025-08-31T09:28:49,903   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4
2025-08-31T09:28:49,905   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4
2025-08-31T09:28:49,907   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2
2025-08-31T09:28:49,908   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2
2025-08-31T09:28:49,911   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22
2025-08-31T09:28:49,912   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22
2025-08-31T09:28:49,915   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5
2025-08-31T09:28:49,916   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5
2025-08-31T09:28:49,919   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh
2025-08-31T09:28:49,920   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh
2025-08-31T09:28:49,922   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:28:49,924   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:28:49,926   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH
2025-08-31T09:28:49,928   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH
2025-08-31T09:28:49,930   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:28:49,932   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:28:49,934   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co
2025-08-31T09:28:49,935   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co
2025-08-31T09:28:49,937   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts
2025-08-31T09:28:49,938   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts
2025-08-31T09:28:49,941   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts
2025-08-31T09:28:49,942   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts
2025-08-31T09:28:49,944   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f
2025-08-31T09:28:49,945   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f
2025-08-31T09:28:49,947   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O
2025-08-31T09:28:49,949   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O
2025-08-31T09:28:49,951   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2
2025-08-31T09:28:49,952   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2
2025-08-31T09:28:49,955   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl
2025-08-31T09:28:49,956   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl
2025-08-31T09:28:49,958   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts
2025-08-31T09:28:49,959   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts
2025-08-31T09:28:49,962   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots
2025-08-31T09:28:49,963   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots
2025-08-31T09:28:49,966   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn
2025-08-31T09:28:49,967   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn
2025-08-31T09:28:49,969   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11
2025-08-31T09:28:49,970   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11
2025-08-31T09:28:49,973   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21
2025-08-31T09:28:49,974   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21
2025-08-31T09:28:49,976   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17
2025-08-31T09:28:49,978   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17
2025-08-31T09:28:49,980   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-
2025-08-31T09:28:49,982   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-
2025-08-31T09:28:49,984   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e
2025-08-31T09:28:49,986   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e
2025-08-31T09:28:49,988   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p
2025-08-31T09:28:49,990   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p
2025-08-31T09:28:49,992   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e
2025-08-31T09:28:49,994   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e
2025-08-31T09:28:49,996   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e
2025-08-31T09:28:49,997   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e
2025-08-31T09:28:50,000   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p
2025-08-31T09:28:50,001   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p
2025-08-31T09:28:50,003   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p
2025-08-31T09:28:50,005   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p
2025-08-31T09:28:50,007   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p
2025-08-31T09:28:50,008   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p
2025-08-31T09:28:50,010   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e
2025-08-31T09:28:50,012   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e
2025-08-31T09:28:50,014   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e
2025-08-31T09:28:50,015   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e
2025-08-31T09:28:50,018   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p
2025-08-31T09:28:50,019   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p
2025-08-31T09:28:50,022   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e
2025-08-31T09:28:50,023   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e
2025-08-31T09:28:50,025   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p
2025-08-31T09:28:50,027   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p
2025-08-31T09:28:50,029   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p
2025-08-31T09:28:50,030   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p
2025-08-31T09:28:50,033   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e
2025-08-31T09:28:50,034   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e
2025-08-31T09:28:50,037   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e
2025-08-31T09:28:50,038   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e
2025-08-31T09:28:50,041   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p
2025-08-31T09:28:50,043   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p
2025-08-31T09:28:50,045   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p
2025-08-31T09:28:50,046   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p
2025-08-31T09:28:50,049   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p
2025-08-31T09:28:50,050   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p
2025-08-31T09:28:50,053   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e
2025-08-31T09:28:50,054   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e
2025-08-31T09:28:50,057   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e
2025-08-31T09:28:50,058   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e
2025-08-31T09:28:50,060   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e
2025-08-31T09:28:50,062   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e
2025-08-31T09:28:50,064   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e
2025-08-31T09:28:50,065   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e
2025-08-31T09:28:50,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p
2025-08-31T09:28:50,069   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p
2025-08-31T09:28:50,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e
2025-08-31T09:28:50,073   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e
2025-08-31T09:28:50,075   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e
2025-08-31T09:28:50,076   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e
2025-08-31T09:28:50,079   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p
2025-08-31T09:28:50,080   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p
2025-08-31T09:28:50,083   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p
2025-08-31T09:28:50,084   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p
2025-08-31T09:28:50,087   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e
2025-08-31T09:28:50,088   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e
2025-08-31T09:28:50,091   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p
2025-08-31T09:28:50,092   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p
2025-08-31T09:28:50,094   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p
2025-08-31T09:28:50,096   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p
2025-08-31T09:28:50,098   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e
2025-08-31T09:28:50,099   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e
2025-08-31T09:28:50,102   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p
2025-08-31T09:28:50,103   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p
2025-08-31T09:28:50,106   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p
2025-08-31T09:28:50,107   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p
2025-08-31T09:28:50,110   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e
2025-08-31T09:28:50,111   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e
2025-08-31T09:28:50,114   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p
2025-08-31T09:28:50,115   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p
2025-08-31T09:28:50,117   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p
2025-08-31T09:28:50,119   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p
2025-08-31T09:28:50,121   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e
2025-08-31T09:28:50,123   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e
2025-08-31T09:28:50,125   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e
2025-08-31T09:28:50,126   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e
2025-08-31T09:28:50,129   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p
2025-08-31T09:28:50,130   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p
2025-08-31T09:28:50,132   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e
2025-08-31T09:28:50,134   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e
2025-08-31T09:28:50,136   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e
2025-08-31T09:28:50,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e
2025-08-31T09:28:50,140   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p
2025-08-31T09:28:50,141   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p
2025-08-31T09:28:50,143   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e
2025-08-31T09:28:50,144   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e
2025-08-31T09:28:50,147   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p
2025-08-31T09:28:50,148   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p
2025-08-31T09:28:50,150   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p
2025-08-31T09:28:50,152   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p
2025-08-31T09:28:50,154   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e
2025-08-31T09:28:50,155   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e
2025-08-31T09:28:50,158   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e
2025-08-31T09:28:50,159   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e
2025-08-31T09:28:50,162   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p
2025-08-31T09:28:50,163   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p
2025-08-31T09:28:50,165   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8
2025-08-31T09:28:50,167   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8
2025-08-31T09:28:50,169   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4
2025-08-31T09:28:50,171   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4
2025-08-31T09:28:50,173   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6
2025-08-31T09:28:50,174   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6
2025-08-31T09:28:50,177   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9
2025-08-31T09:28:50,178   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9
2025-08-31T09:28:50,180   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10
2025-08-31T09:28:50,182   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10
2025-08-31T09:28:50,184   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2
2025-08-31T09:28:50,185   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2
2025-08-31T09:28:50,188   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1
2025-08-31T09:28:50,189   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1
2025-08-31T09:28:50,191   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7
2025-08-31T09:28:50,193   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7
2025-08-31T09:28:50,195   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5
2025-08-31T09:28:50,196   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5
2025-08-31T09:28:50,198   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2
2025-08-31T09:28:50,199   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2
2025-08-31T09:28:50,202   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4
2025-08-31T09:28:50,203   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4
2025-08-31T09:28:50,205   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10
2025-08-31T09:28:50,206   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10
2025-08-31T09:28:50,208   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6
2025-08-31T09:28:50,210   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6
2025-08-31T09:28:50,212   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7
2025-08-31T09:28:50,213   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7
2025-08-31T09:28:50,216   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1
2025-08-31T09:28:50,217   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1
2025-08-31T09:28:50,219   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8
2025-08-31T09:28:50,220   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8
2025-08-31T09:28:50,223   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9
2025-08-31T09:28:50,224   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9
2025-08-31T09:28:50,227   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5
2025-08-31T09:28:50,228   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5
2025-08-31T09:28:50,230   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3
2025-08-31T09:28:50,232   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3
2025-08-31T09:28:50,234   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3
2025-08-31T09:28:50,235   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3
2025-08-31T09:28:50,238   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A
2025-08-31T09:28:50,240   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A
2025-08-31T09:28:50,242   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:28:50,243   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:28:50,246   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne
2025-08-31T09:28:50,247   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne
2025-08-31T09:28:50,249   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20
2025-08-31T09:28:50,251   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20
2025-08-31T09:28:50,253   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+
2025-08-31T09:28:50,254   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+
2025-08-31T09:28:50,257   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2
2025-08-31T09:28:50,258   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2
2025-08-31T09:28:50,261   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+
2025-08-31T09:28:50,262   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+
2025-08-31T09:28:50,264   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12
2025-08-31T09:28:50,265   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12
2025-08-31T09:28:50,268   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43
2025-08-31T09:28:50,269   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43
2025-08-31T09:28:50,271   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48
2025-08-31T09:28:50,272   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48
2025-08-31T09:28:50,275   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo
2025-08-31T09:28:50,276   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo
2025-08-31T09:28:50,278   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp
2025-08-31T09:28:50,280   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp
2025-08-31T09:28:50,282   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:28:50,283   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:28:50,285   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm
2025-08-31T09:28:50,287   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm
2025-08-31T09:28:50,289   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02
2025-08-31T09:28:50,291   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02
2025-08-31T09:28:50,293   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:28:50,294   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:28:50,297   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14
2025-08-31T09:28:50,298   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14
2025-08-31T09:28:50,300   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:28:50,302   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:28:50,304   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2
2025-08-31T09:28:50,305   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2
2025-08-31T09:28:50,307   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe
2025-08-31T09:28:50,309   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe
2025-08-31T09:28:50,311   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74
2025-08-31T09:28:50,312   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74
2025-08-31T09:28:50,315   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s
2025-08-31T09:28:50,316   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s
2025-08-31T09:28:50,318   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2
2025-08-31T09:28:50,320   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2
2025-08-31T09:28:50,322   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:28:50,323   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:28:50,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20
2025-08-31T09:28:50,326   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20
2025-08-31T09:28:50,328   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:28:50,330   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:28:50,332   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+
2025-08-31T09:28:50,333   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+
2025-08-31T09:28:50,335   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68
2025-08-31T09:28:50,336   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68
2025-08-31T09:28:50,338   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a
2025-08-31T09:28:50,340   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a
2025-08-31T09:28:50,342   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67
2025-08-31T09:28:50,343   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67
2025-08-31T09:28:50,345   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A
2025-08-31T09:28:50,347   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A
2025-08-31T09:28:50,349   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h
2025-08-31T09:28:50,350   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h
2025-08-31T09:28:50,352   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20
2025-08-31T09:28:50,354   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20
2025-08-31T09:28:50,356   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6
2025-08-31T09:28:50,357   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6
2025-08-31T09:28:50,360   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71
2025-08-31T09:28:50,361   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71
2025-08-31T09:28:50,363   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+
2025-08-31T09:28:50,364   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+
2025-08-31T09:28:50,367   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2
2025-08-31T09:28:50,368   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2
2025-08-31T09:28:50,370   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1
2025-08-31T09:28:50,371   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1
2025-08-31T09:28:50,374   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s
2025-08-31T09:28:50,375   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s
2025-08-31T09:28:50,377   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8
2025-08-31T09:28:50,379   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8
2025-08-31T09:28:50,381   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47
2025-08-31T09:28:50,382   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47
2025-08-31T09:28:50,385   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si
2025-08-31T09:28:50,386   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si
2025-08-31T09:28:50,388   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:28:50,389   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:28:50,391   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc
2025-08-31T09:28:50,393   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc
2025-08-31T09:28:50,395   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf
2025-08-31T09:28:50,396   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf
2025-08-31T09:28:50,398   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21
2025-08-31T09:28:50,399   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21
2025-08-31T09:28:50,402   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo
2025-08-31T09:28:50,403   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo
2025-08-31T09:28:50,405   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco
2025-08-31T09:28:50,406   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco
2025-08-31T09:28:50,409   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B
2025-08-31T09:28:50,410   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B
2025-08-31T09:28:50,413   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39
2025-08-31T09:28:50,415   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39
2025-08-31T09:28:50,417   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4
2025-08-31T09:28:50,418   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4
2025-08-31T09:28:50,421   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg
2025-08-31T09:28:50,422   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg
2025-08-31T09:28:50,426   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh
2025-08-31T09:28:50,428   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh
2025-08-31T09:28:50,431   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A
2025-08-31T09:28:50,433   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A
2025-08-31T09:28:50,435   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:28:50,436   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:28:50,439   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k
2025-08-31T09:28:50,440   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k
2025-08-31T09:28:50,443   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34
2025-08-31T09:28:50,444   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34
2025-08-31T09:28:50,447   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o
2025-08-31T09:28:50,449   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o
2025-08-31T09:28:50,451   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:28:50,453   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:28:50,455   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59
2025-08-31T09:28:50,457   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59
2025-08-31T09:28:50,459   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf
2025-08-31T09:28:50,460   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf
2025-08-31T09:28:50,463   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4
2025-08-31T09:28:50,464   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4
2025-08-31T09:28:50,467   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b
2025-08-31T09:28:50,468   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b
2025-08-31T09:28:50,471   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3
2025-08-31T09:28:50,472   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3
2025-08-31T09:28:50,475   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78
2025-08-31T09:28:50,476   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78
2025-08-31T09:28:50,478   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3
2025-08-31T09:28:50,479   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3
2025-08-31T09:28:50,482   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:28:50,483   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:28:50,485   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4
2025-08-31T09:28:50,487   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4
2025-08-31T09:28:50,489   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:28:50,490   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:28:50,493   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p
2025-08-31T09:28:50,494   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p
2025-08-31T09:28:50,496   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be
2025-08-31T09:28:50,498   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be
2025-08-31T09:28:50,500   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:28:50,501   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:28:50,504   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10
2025-08-31T09:28:50,506   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10
2025-08-31T09:28:50,508   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B
2025-08-31T09:28:50,510   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B
2025-08-31T09:28:50,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao
2025-08-31T09:28:50,514   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao
2025-08-31T09:28:50,516   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A
2025-08-31T09:28:50,517   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A
2025-08-31T09:28:50,520   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4
2025-08-31T09:28:50,521   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4
2025-08-31T09:28:50,523   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:28:50,524   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:28:50,526   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B
2025-08-31T09:28:50,528   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B
2025-08-31T09:28:50,530   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic
2025-08-31T09:28:50,531   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic
2025-08-31T09:28:50,533   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:28:50,534   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:28:50,537   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p
2025-08-31T09:28:50,538   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p
2025-08-31T09:28:50,540   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2
2025-08-31T09:28:50,542   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2
2025-08-31T09:28:50,544   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c
2025-08-31T09:28:50,545   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c
2025-08-31T09:28:50,548   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:28:50,549   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:28:50,552   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24
2025-08-31T09:28:50,553   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24
2025-08-31T09:28:50,556   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B
2025-08-31T09:28:50,558   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B
2025-08-31T09:28:50,561   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:28:50,562   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:28:50,564   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b
2025-08-31T09:28:50,565   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b
2025-08-31T09:28:50,568   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25
2025-08-31T09:28:50,569   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25
2025-08-31T09:28:50,572   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76
2025-08-31T09:28:50,573   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76
2025-08-31T09:28:50,575   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:28:50,577   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:28:50,579   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1
2025-08-31T09:28:50,580   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1
2025-08-31T09:28:50,583   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs
2025-08-31T09:28:50,584   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs
2025-08-31T09:28:50,587   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr
2025-08-31T09:28:50,588   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr
2025-08-31T09:28:50,590   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2
2025-08-31T09:28:50,591   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2
2025-08-31T09:28:50,594   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl
2025-08-31T09:28:50,595   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl
2025-08-31T09:28:50,597   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3
2025-08-31T09:28:50,598   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3
2025-08-31T09:28:50,601   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f
2025-08-31T09:28:50,602   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f
2025-08-31T09:28:50,604   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf
2025-08-31T09:28:50,606   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf
2025-08-31T09:28:50,608   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B
2025-08-31T09:28:50,609   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B
2025-08-31T09:28:50,612   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3
2025-08-31T09:28:50,613   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3
2025-08-31T09:28:50,615   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64
2025-08-31T09:28:50,616   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64
2025-08-31T09:28:50,619   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20
2025-08-31T09:28:50,620   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20
2025-08-31T09:28:50,622   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80
2025-08-31T09:28:50,623   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80
2025-08-31T09:28:50,626   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH
2025-08-31T09:28:50,627   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH
2025-08-31T09:28:50,629   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh
2025-08-31T09:28:50,630   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh
2025-08-31T09:28:50,633   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2
2025-08-31T09:28:50,634   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2
2025-08-31T09:28:50,637   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S
2025-08-31T09:28:50,638   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S
2025-08-31T09:28:50,641   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73
2025-08-31T09:28:50,642   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73
2025-08-31T09:28:50,645   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5
2025-08-31T09:28:50,646   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5
2025-08-31T09:28:50,649   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2
2025-08-31T09:28:50,650   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2
2025-08-31T09:28:50,652   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1
2025-08-31T09:28:50,653   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1
2025-08-31T09:28:50,656   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl
2025-08-31T09:28:50,657   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl
2025-08-31T09:28:50,659   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s
2025-08-31T09:28:50,661   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s
2025-08-31T09:28:50,664   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A
2025-08-31T09:28:50,665   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A
2025-08-31T09:28:50,668   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25
2025-08-31T09:28:50,669   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25
2025-08-31T09:28:50,672   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:28:50,673   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:28:50,676   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:28:50,678   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:28:50,680   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:28:50,682   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:28:50,684   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:28:50,685   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:28:50,687   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A
2025-08-31T09:28:50,689   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A
2025-08-31T09:28:50,691   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+
2025-08-31T09:28:50,693   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+
2025-08-31T09:28:50,695   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts
2025-08-31T09:28:50,696   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts
2025-08-31T09:28:50,699   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2
2025-08-31T09:28:50,700   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2
2025-08-31T09:28:50,703   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn
2025-08-31T09:28:50,704   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn
2025-08-31T09:28:50,706   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2
2025-08-31T09:28:50,708   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2
2025-08-31T09:28:50,710   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca
2025-08-31T09:28:50,711   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca
2025-08-31T09:28:50,714   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13
2025-08-31T09:28:50,716   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13
2025-08-31T09:28:50,721   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:28:50,722   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:28:50,724   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2
2025-08-31T09:28:50,725   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2
2025-08-31T09:28:50,728   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1
2025-08-31T09:28:50,729   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1
2025-08-31T09:28:50,731   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr
2025-08-31T09:28:50,733   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr
2025-08-31T09:28:50,736   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:28:50,737   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:28:50,740   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+
2025-08-31T09:28:50,741   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+
2025-08-31T09:28:50,743   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:28:50,745   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:28:50,747   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45
2025-08-31T09:28:50,748   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45
2025-08-31T09:28:50,751   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al
2025-08-31T09:28:50,752   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al
2025-08-31T09:28:50,754   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18
2025-08-31T09:28:50,755   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18
2025-08-31T09:28:50,758   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:28:50,759   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:28:50,761   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3
2025-08-31T09:28:50,763   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3
2025-08-31T09:28:50,765   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58
2025-08-31T09:28:50,766   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58
2025-08-31T09:28:50,768   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s
2025-08-31T09:28:50,770   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s
2025-08-31T09:28:50,772   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:28:50,773   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:28:50,776   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:28:50,777   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:28:50,780   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B
2025-08-31T09:28:50,781   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B
2025-08-31T09:28:50,784   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr
2025-08-31T09:28:50,785   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr
2025-08-31T09:28:50,787   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A
2025-08-31T09:28:50,789   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A
2025-08-31T09:28:50,791   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B
2025-08-31T09:28:50,792   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B
2025-08-31T09:28:50,794   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40
2025-08-31T09:28:50,796   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40
2025-08-31T09:28:50,798   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:28:50,799   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:28:50,801   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2
2025-08-31T09:28:50,803   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2
2025-08-31T09:28:50,805   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2
2025-08-31T09:28:50,806   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2
2025-08-31T09:28:50,809   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A
2025-08-31T09:28:50,810   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A
2025-08-31T09:28:50,812   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh
2025-08-31T09:28:50,814   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh
2025-08-31T09:28:50,816   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts
2025-08-31T09:28:50,817   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts
2025-08-31T09:28:50,820   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f
2025-08-31T09:28:50,821   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f
2025-08-31T09:28:50,824   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O
2025-08-31T09:28:50,825   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O
2025-08-31T09:28:50,827   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2
2025-08-31T09:28:50,828   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2
2025-08-31T09:28:50,831   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH
2025-08-31T09:28:50,832   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH
2025-08-31T09:28:50,834   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl
2025-08-31T09:28:50,836   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl
2025-08-31T09:28:50,838   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots
2025-08-31T09:28:50,839   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots
2025-08-31T09:28:50,842   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn
2025-08-31T09:28:50,843   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn
2025-08-31T09:28:50,846   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2
2025-08-31T09:28:50,847   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2
2025-08-31T09:28:50,850   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3
2025-08-31T09:28:50,851   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3
2025-08-31T09:28:50,853   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar
2025-08-31T09:28:50,854   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar
2025-08-31T09:28:50,857   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4
2025-08-31T09:28:50,858   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4
2025-08-31T09:28:50,860   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17
2025-08-31T09:28:50,862   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17
2025-08-31T09:28:50,864   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he
2025-08-31T09:28:50,865   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he
2025-08-31T09:28:50,868   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:28:50,869   copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:28:50,871   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:28:50,873   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:28:50,876   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:28:50,877   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:28:50,879   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:28:50,881   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:28:50,883   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:28:50,884   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:28:50,887   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2
2025-08-31T09:28:50,888   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2
2025-08-31T09:28:50,890   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:28:50,892   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:28:50,894   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:28:50,895   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:28:50,898   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:28:50,899   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:28:50,902   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:28:50,903   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:28:50,906   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:28:50,907   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:28:50,910   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:28:50,911   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:28:50,914   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:28:50,915   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:28:50,918   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:28:50,919   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:28:50,922   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:28:50,923   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:28:50,925   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:28:50,926   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:28:50,929   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:28:50,930   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:28:50,933   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:28:50,934   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:28:50,936   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:28:50,938   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:28:50,940   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:28:50,941   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:28:50,944   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:28:50,945   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:28:50,947   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:28:50,949   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:28:50,951   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:28:50,952   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:28:50,955   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:28:50,956   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:28:50,958   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:28:50,960   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:28:50,962   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:28:50,963   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:28:50,966   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1
2025-08-31T09:28:50,967   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1
2025-08-31T09:28:50,969   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:28:50,971   copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:28:50,973   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene
2025-08-31T09:28:50,975   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene
2025-08-31T09:28:50,977   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene
2025-08-31T09:28:50,979   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene
2025-08-31T09:28:50,981   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine
2025-08-31T09:28:50,982   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine
2025-08-31T09:28:50,984   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1
2025-08-31T09:28:50,986   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1
2025-08-31T09:28:50,988   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X
2025-08-31T09:28:50,989   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X
2025-08-31T09:28:50,991   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5
2025-08-31T09:28:50,993   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5
2025-08-31T09:28:50,995   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3
2025-08-31T09:28:50,996   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3
2025-08-31T09:28:50,999   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6
2025-08-31T09:28:51,000   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6
2025-08-31T09:28:51,002   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane
2025-08-31T09:28:51,003   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane
2025-08-31T09:28:51,006   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4
2025-08-31T09:28:51,007   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4
2025-08-31T09:28:51,009   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8
2025-08-31T09:28:51,011   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8
2025-08-31T09:28:51,013   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X
2025-08-31T09:28:51,014   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X
2025-08-31T09:28:51,017   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2
2025-08-31T09:28:51,018   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2
2025-08-31T09:28:51,020   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X
2025-08-31T09:28:51,022   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X
2025-08-31T09:28:51,024   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH
2025-08-31T09:28:51,025   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH
2025-08-31T09:28:51,028   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene
2025-08-31T09:28:51,029   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene
2025-08-31T09:28:51,031   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X
2025-08-31T09:28:51,033   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X
2025-08-31T09:28:51,035   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9
2025-08-31T09:28:51,036   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9
2025-08-31T09:28:51,039   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7
2025-08-31T09:28:51,040   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7
2025-08-31T09:28:51,043   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein
2025-08-31T09:28:51,044   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein
2025-08-31T09:28:51,046   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10
2025-08-31T09:28:51,047   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10
2025-08-31T09:28:51,050   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene
2025-08-31T09:28:51,051   copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene
2025-08-31T09:28:51,053   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:28:51,055   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:28:51,057   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:28:51,058   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:28:51,061   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:28:51,062   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:28:51,064   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br
2025-08-31T09:28:51,066   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br
2025-08-31T09:28:51,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:28:51,069   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:28:51,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:28:51,073   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:28:51,076   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:28:51,077   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:28:51,079   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:28:51,081   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:28:51,083   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:28:51,084   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:28:51,087   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:28:51,088   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:28:51,090   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:28:51,092   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:28:51,094   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:28:51,095   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:28:51,098   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:28:51,100   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:28:51,102   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:28:51,103   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:28:51,106   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:28:51,107   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:28:51,109   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:28:51,111   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:28:51,113   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:28:51,114   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:28:51,117   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:28:51,118   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:28:51,120   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:28:51,122   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:28:51,124   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:28:51,125   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:28:51,128   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:28:51,129   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:28:51,132   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:28:51,133   copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:28:51,135   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6
2025-08-31T09:28:51,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6
2025-08-31T09:28:51,139   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8
2025-08-31T09:28:51,141   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8
2025-08-31T09:28:51,143   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9
2025-08-31T09:28:51,144   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9
2025-08-31T09:28:51,147   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2
2025-08-31T09:28:51,148   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2
2025-08-31T09:28:51,151   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1
2025-08-31T09:28:51,152   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1
2025-08-31T09:28:51,155   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10
2025-08-31T09:28:51,156   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10
2025-08-31T09:28:51,159   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5
2025-08-31T09:28:51,160   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5
2025-08-31T09:28:51,163   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7
2025-08-31T09:28:51,164   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7
2025-08-31T09:28:51,167   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3
2025-08-31T09:28:51,168   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3
2025-08-31T09:28:51,171   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4
2025-08-31T09:28:51,172   copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4
2025-08-31T09:28:51,174   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04
2025-08-31T09:28:51,176   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04
2025-08-31T09:28:51,178   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11
2025-08-31T09:28:51,180   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11
2025-08-31T09:28:51,182   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b
2025-08-31T09:28:51,183   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b
2025-08-31T09:28:51,185   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a
2025-08-31T09:28:51,186   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a
2025-08-31T09:28:51,189   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15
2025-08-31T09:28:51,190   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15
2025-08-31T09:28:51,192   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09
2025-08-31T09:28:51,193   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09
2025-08-31T09:28:51,196   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20
2025-08-31T09:28:51,197   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20
2025-08-31T09:28:51,199   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b
2025-08-31T09:28:51,201   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b
2025-08-31T09:28:51,203   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01
2025-08-31T09:28:51,204   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01
2025-08-31T09:28:51,206   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b
2025-08-31T09:28:51,207   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b
2025-08-31T09:28:51,210   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a
2025-08-31T09:28:51,211   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a
2025-08-31T09:28:51,213   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06
2025-08-31T09:28:51,215   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06
2025-08-31T09:28:51,217   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a
2025-08-31T09:28:51,218   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a
2025-08-31T09:28:51,221   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a
2025-08-31T09:28:51,222   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a
2025-08-31T09:28:51,224   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14
2025-08-31T09:28:51,226   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14
2025-08-31T09:28:51,228   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b
2025-08-31T09:28:51,229   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b
2025-08-31T09:28:51,232   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22
2025-08-31T09:28:51,233   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22
2025-08-31T09:28:51,235   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b
2025-08-31T09:28:51,237   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b
2025-08-31T09:28:51,239   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a
2025-08-31T09:28:51,240   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a
2025-08-31T09:28:51,242   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b
2025-08-31T09:28:51,243   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b
2025-08-31T09:28:51,246   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a
2025-08-31T09:28:51,247   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a
2025-08-31T09:28:51,249   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07
2025-08-31T09:28:51,250   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07
2025-08-31T09:28:51,253   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a
2025-08-31T09:28:51,254   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a
2025-08-31T09:28:51,256   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a
2025-08-31T09:28:51,257   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a
2025-08-31T09:28:51,260   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19
2025-08-31T09:28:51,261   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19
2025-08-31T09:28:51,264   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b
2025-08-31T09:28:51,265   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b
2025-08-31T09:28:51,267   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16
2025-08-31T09:28:51,268   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16
2025-08-31T09:28:51,271   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b
2025-08-31T09:28:51,272   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b
2025-08-31T09:28:51,275   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a
2025-08-31T09:28:51,276   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a
2025-08-31T09:28:51,278   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b
2025-08-31T09:28:51,279   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b
2025-08-31T09:28:51,282   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03
2025-08-31T09:28:51,283   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03
2025-08-31T09:28:51,286   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05
2025-08-31T09:28:51,287   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05
2025-08-31T09:28:51,290   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a
2025-08-31T09:28:51,291   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a
2025-08-31T09:28:51,293   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08
2025-08-31T09:28:51,295   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08
2025-08-31T09:28:51,297   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a
2025-08-31T09:28:51,299   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a
2025-08-31T09:28:51,301   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a
2025-08-31T09:28:51,303   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a
2025-08-31T09:28:51,305   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b
2025-08-31T09:28:51,307   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b
2025-08-31T09:28:51,309   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10
2025-08-31T09:28:51,310   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10
2025-08-31T09:28:51,312   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a
2025-08-31T09:28:51,313   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a
2025-08-31T09:28:51,316   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a
2025-08-31T09:28:51,317   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a
2025-08-31T09:28:51,319   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a
2025-08-31T09:28:51,320   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a
2025-08-31T09:28:51,323   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b
2025-08-31T09:28:51,324   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b
2025-08-31T09:28:51,326   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a
2025-08-31T09:28:51,327   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a
2025-08-31T09:28:51,330   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12
2025-08-31T09:28:51,331   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12
2025-08-31T09:28:51,334   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a
2025-08-31T09:28:51,335   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a
2025-08-31T09:28:51,337   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02
2025-08-31T09:28:51,339   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02
2025-08-31T09:28:51,341   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a
2025-08-31T09:28:51,342   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a
2025-08-31T09:28:51,345   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13
2025-08-31T09:28:51,346   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13
2025-08-31T09:28:51,349   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b
2025-08-31T09:28:51,350   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b
2025-08-31T09:28:51,352   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18
2025-08-31T09:28:51,353   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18
2025-08-31T09:28:51,356   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a
2025-08-31T09:28:51,357   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a
2025-08-31T09:28:51,360   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a
2025-08-31T09:28:51,361   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a
2025-08-31T09:28:51,364   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a
2025-08-31T09:28:51,365   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a
2025-08-31T09:28:51,367   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21
2025-08-31T09:28:51,369   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21
2025-08-31T09:28:51,371   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b
2025-08-31T09:28:51,372   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b
2025-08-31T09:28:51,375   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17
2025-08-31T09:28:51,376   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17
2025-08-31T09:28:51,378   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a
2025-08-31T09:28:51,380   copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a
2025-08-31T09:28:51,382   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9
2025-08-31T09:28:51,384   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9
2025-08-31T09:28:51,386   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4
2025-08-31T09:28:51,387   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4
2025-08-31T09:28:51,390   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9
2025-08-31T09:28:51,391   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9
2025-08-31T09:28:51,393   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13
2025-08-31T09:28:51,395   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13
2025-08-31T09:28:51,397   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5
2025-08-31T09:28:51,398   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5
2025-08-31T09:28:51,401   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4
2025-08-31T09:28:51,402   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4
2025-08-31T09:28:51,405   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7
2025-08-31T09:28:51,406   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7
2025-08-31T09:28:51,408   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8
2025-08-31T09:28:51,409   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8
2025-08-31T09:28:51,412   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5
2025-08-31T09:28:51,413   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5
2025-08-31T09:28:51,416   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5
2025-08-31T09:28:51,417   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5
2025-08-31T09:28:51,420   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11
2025-08-31T09:28:51,421   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11
2025-08-31T09:28:51,423   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10
2025-08-31T09:28:51,425   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10
2025-08-31T09:28:51,427   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15
2025-08-31T09:28:51,428   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15
2025-08-31T09:28:51,431   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1
2025-08-31T09:28:51,432   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1
2025-08-31T09:28:51,435   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14
2025-08-31T09:28:51,436   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14
2025-08-31T09:28:51,439   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4
2025-08-31T09:28:51,440   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4
2025-08-31T09:28:51,443   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16
2025-08-31T09:28:51,444   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16
2025-08-31T09:28:51,446   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13
2025-08-31T09:28:51,447   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13
2025-08-31T09:28:51,450   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6
2025-08-31T09:28:51,451   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6
2025-08-31T09:28:51,453   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3
2025-08-31T09:28:51,454   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3
2025-08-31T09:28:51,457   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2
2025-08-31T09:28:51,458   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2
2025-08-31T09:28:51,461   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6
2025-08-31T09:28:51,462   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6
2025-08-31T09:28:51,464   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12
2025-08-31T09:28:51,465   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12
2025-08-31T09:28:51,468   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11
2025-08-31T09:28:51,469   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11
2025-08-31T09:28:51,472   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1
2025-08-31T09:28:51,473   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1
2025-08-31T09:28:51,475   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3
2025-08-31T09:28:51,476   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3
2025-08-31T09:28:51,479   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3
2025-08-31T09:28:51,480   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3
2025-08-31T09:28:51,483   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2
2025-08-31T09:28:51,484   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2
2025-08-31T09:28:51,486   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10
2025-08-31T09:28:51,488   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10
2025-08-31T09:28:51,490   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6
2025-08-31T09:28:51,492   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6
2025-08-31T09:28:51,494   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12
2025-08-31T09:28:51,495   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12
2025-08-31T09:28:51,498   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15
2025-08-31T09:28:51,499   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15
2025-08-31T09:28:51,502   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7
2025-08-31T09:28:51,503   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7
2025-08-31T09:28:51,505   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14
2025-08-31T09:28:51,507   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14
2025-08-31T09:28:51,509   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8
2025-08-31T09:28:51,511   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8
2025-08-31T09:28:51,513   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1
2025-08-31T09:28:51,514   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1
2025-08-31T09:28:51,517   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4
2025-08-31T09:28:51,518   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4
2025-08-31T09:28:51,520   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2
2025-08-31T09:28:51,521   copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2
2025-08-31T09:28:51,524   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04
2025-08-31T09:28:51,526   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04
2025-08-31T09:28:51,528   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A
2025-08-31T09:28:51,530   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A
2025-08-31T09:28:51,532   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B
2025-08-31T09:28:51,533   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B
2025-08-31T09:28:51,536   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B
2025-08-31T09:28:51,537   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B
2025-08-31T09:28:51,540   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23
2025-08-31T09:28:51,541   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23
2025-08-31T09:28:51,543   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A
2025-08-31T09:28:51,545   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A
2025-08-31T09:28:51,547   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A
2025-08-31T09:28:51,549   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A
2025-08-31T09:28:51,551   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B
2025-08-31T09:28:51,553   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B
2025-08-31T09:28:51,555   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B
2025-08-31T09:28:51,556   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B
2025-08-31T09:28:51,558   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B
2025-08-31T09:28:51,560   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B
2025-08-31T09:28:51,562   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A
2025-08-31T09:28:51,563   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A
2025-08-31T09:28:51,566   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43
2025-08-31T09:28:51,567   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43
2025-08-31T09:28:51,570   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48
2025-08-31T09:28:51,571   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48
2025-08-31T09:28:51,573   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A
2025-08-31T09:28:51,575   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A
2025-08-31T09:28:51,577   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11
2025-08-31T09:28:51,579   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11
2025-08-31T09:28:51,582   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B
2025-08-31T09:28:51,583   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B
2025-08-31T09:28:51,585   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B
2025-08-31T09:28:51,586   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B
2025-08-31T09:28:51,589   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A
2025-08-31T09:28:51,590   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A
2025-08-31T09:28:51,592   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A
2025-08-31T09:28:51,594   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A
2025-08-31T09:28:51,596   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A
2025-08-31T09:28:51,597   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A
2025-08-31T09:28:51,600   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B
2025-08-31T09:28:51,601   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B
2025-08-31T09:28:51,604   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A
2025-08-31T09:28:51,605   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A
2025-08-31T09:28:51,607   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A
2025-08-31T09:28:51,608   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A
2025-08-31T09:28:51,611   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A
2025-08-31T09:28:51,612   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A
2025-08-31T09:28:51,615   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B
2025-08-31T09:28:51,616   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B
2025-08-31T09:28:51,619   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31
2025-08-31T09:28:51,620   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31
2025-08-31T09:28:51,622   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A
2025-08-31T09:28:51,624   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A
2025-08-31T09:28:51,626   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B
2025-08-31T09:28:51,628   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B
2025-08-31T09:28:51,630   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A
2025-08-31T09:28:51,631   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A
2025-08-31T09:28:51,634   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B
2025-08-31T09:28:51,635   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B
2025-08-31T09:28:51,638   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A
2025-08-31T09:28:51,639   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A
2025-08-31T09:28:51,642   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15
2025-08-31T09:28:51,643   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15
2025-08-31T09:28:51,645   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B
2025-08-31T09:28:51,647   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B
2025-08-31T09:28:51,649   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09
2025-08-31T09:28:51,650   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09
2025-08-31T09:28:51,653   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B
2025-08-31T09:28:51,654   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B
2025-08-31T09:28:51,656   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56
2025-08-31T09:28:51,658   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56
2025-08-31T09:28:51,660   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B
2025-08-31T09:28:51,661   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B
2025-08-31T09:28:51,664   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55
2025-08-31T09:28:51,665   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55
2025-08-31T09:28:51,667   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20
2025-08-31T09:28:51,669   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20
2025-08-31T09:28:51,671   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A
2025-08-31T09:28:51,673   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A
2025-08-31T09:28:51,675   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A
2025-08-31T09:28:51,676   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A
2025-08-31T09:28:51,679   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B
2025-08-31T09:28:51,680   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B
2025-08-31T09:28:51,683   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A
2025-08-31T09:28:51,684   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A
2025-08-31T09:28:51,687   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A
2025-08-31T09:28:51,688   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A
2025-08-31T09:28:51,691   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A
2025-08-31T09:28:51,692   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A
2025-08-31T09:28:51,695   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36
2025-08-31T09:28:51,696   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36
2025-08-31T09:28:51,699   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A
2025-08-31T09:28:51,700   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A
2025-08-31T09:28:51,702   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01
2025-08-31T09:28:51,704   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01
2025-08-31T09:28:51,706   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B
2025-08-31T09:28:51,707   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B
2025-08-31T09:28:51,710   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47
2025-08-31T09:28:51,711   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47
2025-08-31T09:28:51,714   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A
2025-08-31T09:28:51,715   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A
2025-08-31T09:28:51,719   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B
2025-08-31T09:28:51,720   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B
2025-08-31T09:28:51,723   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64
2025-08-31T09:28:51,724   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64
2025-08-31T09:28:51,727   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06
2025-08-31T09:28:51,728   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06
2025-08-31T09:28:51,730   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B
2025-08-31T09:28:51,732   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B
2025-08-31T09:28:51,734   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32
2025-08-31T09:28:51,735   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32
2025-08-31T09:28:51,740   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B
2025-08-31T09:28:51,959   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B
2025-08-31T09:28:51,962   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B
2025-08-31T09:28:51,964   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B
2025-08-31T09:28:51,967   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39
2025-08-31T09:28:51,969   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39
2025-08-31T09:28:51,972   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A
2025-08-31T09:28:51,974   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A
2025-08-31T09:28:51,977   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A
2025-08-31T09:28:51,979   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A
2025-08-31T09:28:51,981   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A
2025-08-31T09:28:51,982   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A
2025-08-31T09:28:51,985   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B
2025-08-31T09:28:51,986   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B
2025-08-31T09:28:51,988   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B
2025-08-31T09:28:51,989   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B
2025-08-31T09:28:51,992   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B
2025-08-31T09:28:51,993   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B
2025-08-31T09:28:51,995   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14
2025-08-31T09:28:51,996   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14
2025-08-31T09:28:51,999   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A
2025-08-31T09:28:52,000   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A
2025-08-31T09:28:52,002   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A
2025-08-31T09:28:52,004   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A
2025-08-31T09:28:52,006   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A
2025-08-31T09:28:52,007   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A
2025-08-31T09:28:52,010   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34
2025-08-31T09:28:52,011   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34
2025-08-31T09:28:52,014   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A
2025-08-31T09:28:52,015   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A
2025-08-31T09:28:52,017   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38
2025-08-31T09:28:52,019   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38
2025-08-31T09:28:52,021   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B
2025-08-31T09:28:52,022   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B
2025-08-31T09:28:52,025   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22
2025-08-31T09:28:52,026   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22
2025-08-31T09:28:52,028   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B
2025-08-31T09:28:52,030   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B
2025-08-31T09:28:52,032   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B
2025-08-31T09:28:52,033   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B
2025-08-31T09:28:52,036   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59
2025-08-31T09:28:52,037   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59
2025-08-31T09:28:52,039   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B
2025-08-31T09:28:52,041   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B
2025-08-31T09:28:52,043   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B
2025-08-31T09:28:52,044   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B
2025-08-31T09:28:52,046   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B
2025-08-31T09:28:52,048   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B
2025-08-31T09:28:52,050   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51
2025-08-31T09:28:52,051   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51
2025-08-31T09:28:52,053   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A
2025-08-31T09:28:52,055   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A
2025-08-31T09:28:52,057   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B
2025-08-31T09:28:52,058   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B
2025-08-31T09:28:52,061   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60
2025-08-31T09:28:52,062   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60
2025-08-31T09:28:52,065   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B
2025-08-31T09:28:52,066   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B
2025-08-31T09:28:52,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B
2025-08-31T09:28:52,070   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B
2025-08-31T09:28:52,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A
2025-08-31T09:28:52,074   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A
2025-08-31T09:28:52,076   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B
2025-08-31T09:28:52,077   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B
2025-08-31T09:28:52,080   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A
2025-08-31T09:28:52,081   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A
2025-08-31T09:28:52,083   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07
2025-08-31T09:28:52,085   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07
2025-08-31T09:28:52,087   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A
2025-08-31T09:28:52,089   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A
2025-08-31T09:28:52,091   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A
2025-08-31T09:28:52,092   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A
2025-08-31T09:28:52,095   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29
2025-08-31T09:28:52,096   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29
2025-08-31T09:28:52,099   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B
2025-08-31T09:28:52,100   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B
2025-08-31T09:28:52,103   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B
2025-08-31T09:28:52,104   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B
2025-08-31T09:28:52,106   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A
2025-08-31T09:28:52,108   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A
2025-08-31T09:28:52,110   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A
2025-08-31T09:28:52,111   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A
2025-08-31T09:28:52,114   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B
2025-08-31T09:28:52,115   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B
2025-08-31T09:28:52,117   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A
2025-08-31T09:28:52,118   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A
2025-08-31T09:28:52,121   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A
2025-08-31T09:28:52,122   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A
2025-08-31T09:28:52,124   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B
2025-08-31T09:28:52,126   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B
2025-08-31T09:28:52,128   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B
2025-08-31T09:28:52,129   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B
2025-08-31T09:28:52,132   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B
2025-08-31T09:28:52,133   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B
2025-08-31T09:28:52,135   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A
2025-08-31T09:28:52,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A
2025-08-31T09:28:52,139   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B
2025-08-31T09:28:52,140   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B
2025-08-31T09:28:52,143   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19
2025-08-31T09:28:52,144   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19
2025-08-31T09:28:52,146   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A
2025-08-31T09:28:52,147   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A
2025-08-31T09:28:52,150   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A
2025-08-31T09:28:52,151   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A
2025-08-31T09:28:52,153   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A
2025-08-31T09:28:52,155   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A
2025-08-31T09:28:52,157   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B
2025-08-31T09:28:52,158   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B
2025-08-31T09:28:52,160   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B
2025-08-31T09:28:52,161   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B
2025-08-31T09:28:52,164   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24
2025-08-31T09:28:52,165   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24
2025-08-31T09:28:52,167   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A
2025-08-31T09:28:52,168   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A
2025-08-31T09:28:52,171   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54
2025-08-31T09:28:52,172   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54
2025-08-31T09:28:52,174   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33
2025-08-31T09:28:52,175   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33
2025-08-31T09:28:52,178   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25
2025-08-31T09:28:52,179   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25
2025-08-31T09:28:52,182   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28
2025-08-31T09:28:52,183   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28
2025-08-31T09:28:52,185   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35
2025-08-31T09:28:52,187   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35
2025-08-31T09:28:52,189   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B
2025-08-31T09:28:52,191   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B
2025-08-31T09:28:52,194   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50
2025-08-31T09:28:52,195   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50
2025-08-31T09:28:52,197   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16
2025-08-31T09:28:52,199   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16
2025-08-31T09:28:52,201   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26
2025-08-31T09:28:52,202   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26
2025-08-31T09:28:52,205   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A
2025-08-31T09:28:52,206   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A
2025-08-31T09:28:52,209   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A
2025-08-31T09:28:52,210   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A
2025-08-31T09:28:52,213   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A
2025-08-31T09:28:52,214   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A
2025-08-31T09:28:52,216   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A
2025-08-31T09:28:52,218   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A
2025-08-31T09:28:52,220   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B
2025-08-31T09:28:52,221   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B
2025-08-31T09:28:52,224   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03
2025-08-31T09:28:52,225   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03
2025-08-31T09:28:52,227   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A
2025-08-31T09:28:52,229   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A
2025-08-31T09:28:52,231   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B
2025-08-31T09:28:52,232   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B
2025-08-31T09:28:52,235   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05
2025-08-31T09:28:52,236   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05
2025-08-31T09:28:52,239   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52
2025-08-31T09:28:52,240   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52
2025-08-31T09:28:52,242   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66
2025-08-31T09:28:52,244   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66
2025-08-31T09:28:52,246   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08
2025-08-31T09:28:52,247   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08
2025-08-31T09:28:52,250   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B
2025-08-31T09:28:52,251   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B
2025-08-31T09:28:52,253   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B
2025-08-31T09:28:52,255   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B
2025-08-31T09:28:52,257   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A
2025-08-31T09:28:52,258   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A
2025-08-31T09:28:52,261   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B
2025-08-31T09:28:52,262   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B
2025-08-31T09:28:52,265   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A
2025-08-31T09:28:52,266   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A
2025-08-31T09:28:52,268   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B
2025-08-31T09:28:52,269   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B
2025-08-31T09:28:52,272   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A
2025-08-31T09:28:52,273   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A
2025-08-31T09:28:52,276   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10
2025-08-31T09:28:52,277   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10
2025-08-31T09:28:52,280   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65
2025-08-31T09:28:52,281   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65
2025-08-31T09:28:52,284   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B
2025-08-31T09:28:52,285   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B
2025-08-31T09:28:52,288   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A
2025-08-31T09:28:52,289   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A
2025-08-31T09:28:52,292   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B
2025-08-31T09:28:52,293   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B
2025-08-31T09:28:52,295   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A
2025-08-31T09:28:52,297   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A
2025-08-31T09:28:52,299   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B
2025-08-31T09:28:52,300   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B
2025-08-31T09:28:52,303   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B
2025-08-31T09:28:52,304   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B
2025-08-31T09:28:52,306   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41
2025-08-31T09:28:52,308   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41
2025-08-31T09:28:52,310   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B
2025-08-31T09:28:52,312   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B
2025-08-31T09:28:52,314   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37
2025-08-31T09:28:52,315   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37
2025-08-31T09:28:52,318   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49
2025-08-31T09:28:52,319   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49
2025-08-31T09:28:52,321   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12
2025-08-31T09:28:52,323   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12
2025-08-31T09:28:52,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A
2025-08-31T09:28:52,326   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A
2025-08-31T09:28:52,329   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02
2025-08-31T09:28:52,330   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02
2025-08-31T09:28:52,333   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B
2025-08-31T09:28:52,334   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B
2025-08-31T09:28:52,336   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13
2025-08-31T09:28:52,337   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13
2025-08-31T09:28:52,340   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B
2025-08-31T09:28:52,341   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B
2025-08-31T09:28:52,344   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B
2025-08-31T09:28:52,345   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B
2025-08-31T09:28:52,347   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45
2025-08-31T09:28:52,349   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45
2025-08-31T09:28:52,351   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62
2025-08-31T09:28:52,353   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62
2025-08-31T09:28:52,355   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18
2025-08-31T09:28:52,357   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18
2025-08-31T09:28:52,359   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B
2025-08-31T09:28:52,361   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B
2025-08-31T09:28:52,363   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B
2025-08-31T09:28:52,364   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B
2025-08-31T09:28:52,367   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58
2025-08-31T09:28:52,368   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58
2025-08-31T09:28:52,371   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B
2025-08-31T09:28:52,372   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B
2025-08-31T09:28:52,375   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A
2025-08-31T09:28:52,376   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A
2025-08-31T09:28:52,379   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40
2025-08-31T09:28:52,380   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40
2025-08-31T09:28:52,382   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63
2025-08-31T09:28:52,384   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63
2025-08-31T09:28:52,386   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61
2025-08-31T09:28:52,388   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61
2025-08-31T09:28:52,390   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A
2025-08-31T09:28:52,392   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A
2025-08-31T09:28:52,394   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B
2025-08-31T09:28:52,395   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B
2025-08-31T09:28:52,398   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A
2025-08-31T09:28:52,399   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A
2025-08-31T09:28:52,402   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B
2025-08-31T09:28:52,403   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B
2025-08-31T09:28:52,405   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A
2025-08-31T09:28:52,407   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A
2025-08-31T09:28:52,409   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30
2025-08-31T09:28:52,411   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30
2025-08-31T09:28:52,413   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21
2025-08-31T09:28:52,415   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21
2025-08-31T09:28:52,417   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B
2025-08-31T09:28:52,419   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B
2025-08-31T09:28:52,421   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A
2025-08-31T09:28:52,422   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A
2025-08-31T09:28:52,425   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A
2025-08-31T09:28:52,427   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A
2025-08-31T09:28:52,429   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27
2025-08-31T09:28:52,431   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27
2025-08-31T09:28:52,433   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53
2025-08-31T09:28:52,435   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53
2025-08-31T09:28:52,437   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44
2025-08-31T09:28:52,439   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44
2025-08-31T09:28:52,441   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A
2025-08-31T09:28:52,442   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A
2025-08-31T09:28:52,445   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42
2025-08-31T09:28:52,446   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42
2025-08-31T09:28:52,449   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46
2025-08-31T09:28:52,450   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46
2025-08-31T09:28:52,453   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A
2025-08-31T09:28:52,454   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A
2025-08-31T09:28:52,456   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B
2025-08-31T09:28:52,458   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B
2025-08-31T09:28:52,460   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A
2025-08-31T09:28:52,462   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A
2025-08-31T09:28:52,464   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A
2025-08-31T09:28:52,466   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A
2025-08-31T09:28:52,468   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57
2025-08-31T09:28:52,469   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57
2025-08-31T09:28:52,472   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17
2025-08-31T09:28:52,473   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17
2025-08-31T09:28:52,476   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B
2025-08-31T09:28:52,477   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B
2025-08-31T09:28:52,480   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A
2025-08-31T09:28:52,481   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A
2025-08-31T09:28:52,484   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A
2025-08-31T09:28:52,485   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A
2025-08-31T09:28:52,487   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A
2025-08-31T09:28:52,489   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A
2025-08-31T09:28:52,491   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B
2025-08-31T09:28:52,493   copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B
2025-08-31T09:28:52,495   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:28:52,497   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:28:52,500   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5
2025-08-31T09:28:52,501   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5
2025-08-31T09:28:52,504   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3
2025-08-31T09:28:52,505   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3
2025-08-31T09:28:52,508   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:28:52,509   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:28:52,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:28:52,513   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:28:52,515   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:28:52,516   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:28:52,519   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf
2025-08-31T09:28:52,520   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf
2025-08-31T09:28:52,523   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6
2025-08-31T09:28:52,524   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6
2025-08-31T09:28:52,527   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6
2025-08-31T09:28:52,528   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6
2025-08-31T09:28:52,530   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:28:52,532   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:28:52,534   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3
2025-08-31T09:28:52,535   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3
2025-08-31T09:28:52,538   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2
2025-08-31T09:28:52,539   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2
2025-08-31T09:28:52,541   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5
2025-08-31T09:28:52,543   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5
2025-08-31T09:28:52,545   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:28:52,546   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:28:52,549   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:28:52,550   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:28:52,553   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:28:52,554   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:28:52,556   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4
2025-08-31T09:28:52,558   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4
2025-08-31T09:28:52,560   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3
2025-08-31T09:28:52,562   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3
2025-08-31T09:28:52,564   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o
2025-08-31T09:28:52,565   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o
2025-08-31T09:28:52,568   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:28:52,569   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:28:52,572   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:28:52,573   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:28:52,576   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:28:52,577   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:28:52,579   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2
2025-08-31T09:28:52,580   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2
2025-08-31T09:28:52,583   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4
2025-08-31T09:28:52,584   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4
2025-08-31T09:28:52,587   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2
2025-08-31T09:28:52,588   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2
2025-08-31T09:28:52,590   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:28:52,591   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:28:52,594   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:28:52,595   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:28:52,597   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4
2025-08-31T09:28:52,599   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4
2025-08-31T09:28:52,601   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3
2025-08-31T09:28:52,602   copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3
2025-08-31T09:28:52,605   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+
2025-08-31T09:28:52,607   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+
2025-08-31T09:28:52,609   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68
2025-08-31T09:28:52,610   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68
2025-08-31T09:28:52,613   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+
2025-08-31T09:28:52,614   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+
2025-08-31T09:28:52,616   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43
2025-08-31T09:28:52,617   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43
2025-08-31T09:28:52,620   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48
2025-08-31T09:28:52,621   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48
2025-08-31T09:28:52,624   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11
2025-08-31T09:28:52,626   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11
2025-08-31T09:28:52,628   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62
2025-08-31T09:28:52,630   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62
2025-08-31T09:28:52,632   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n
2025-08-31T09:28:52,634   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n
2025-08-31T09:28:52,636   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li
2025-08-31T09:28:52,637   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li
2025-08-31T09:28:52,640   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74
2025-08-31T09:28:52,641   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74
2025-08-31T09:28:52,644   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+
2025-08-31T09:28:52,645   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+
2025-08-31T09:28:52,647   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67
2025-08-31T09:28:52,648   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67
2025-08-31T09:28:52,651   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h
2025-08-31T09:28:52,652   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h
2025-08-31T09:28:52,655   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20
2025-08-31T09:28:52,656   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20
2025-08-31T09:28:52,658   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71
2025-08-31T09:28:52,660   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71
2025-08-31T09:28:52,662   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s
2025-08-31T09:28:52,663   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s
2025-08-31T09:28:52,666   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8
2025-08-31T09:28:52,667   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8
2025-08-31T09:28:52,670   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si
2025-08-31T09:28:52,671   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si
2025-08-31T09:28:52,673   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na
2025-08-31T09:28:52,675   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na
2025-08-31T09:28:52,677   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg
2025-08-31T09:28:52,678   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg
2025-08-31T09:28:52,681   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+
2025-08-31T09:28:52,682   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+
2025-08-31T09:28:52,685   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60
2025-08-31T09:28:52,686   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60
2025-08-31T09:28:52,688   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14
2025-08-31T09:28:52,690   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14
2025-08-31T09:28:52,692   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73
2025-08-31T09:28:52,693   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73
2025-08-31T09:28:52,696   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34
2025-08-31T09:28:52,697   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34
2025-08-31T09:28:52,699   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o
2025-08-31T09:28:52,701   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o
2025-08-31T09:28:52,703   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22
2025-08-31T09:28:52,704   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22
2025-08-31T09:28:52,707   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59
2025-08-31T09:28:52,708   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59
2025-08-31T09:28:52,710   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+
2025-08-31T09:28:52,711   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+
2025-08-31T09:28:52,714   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51
2025-08-31T09:28:52,715   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51
2025-08-31T09:28:52,717   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78
2025-08-31T09:28:52,718   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78
2025-08-31T09:28:52,721   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75
2025-08-31T09:28:52,722   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75
2025-08-31T09:28:52,724   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+
2025-08-31T09:28:52,725   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+
2025-08-31T09:28:52,728   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be
2025-08-31T09:28:52,729   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be
2025-08-31T09:28:52,731   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+
2025-08-31T09:28:52,733   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+
2025-08-31T09:28:52,735   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65
2025-08-31T09:28:52,736   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65
2025-08-31T09:28:52,739   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p
2025-08-31T09:28:52,740   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p
2025-08-31T09:28:52,742   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66
2025-08-31T09:28:52,744   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66
2025-08-31T09:28:52,746   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c
2025-08-31T09:28:52,747   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c
2025-08-31T09:28:52,750   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19
2025-08-31T09:28:52,751   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19
2025-08-31T09:28:52,753   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b
2025-08-31T09:28:52,755   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b
2025-08-31T09:28:52,757   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25
2025-08-31T09:28:52,758   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25
2025-08-31T09:28:52,761   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+
2025-08-31T09:28:52,762   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+
2025-08-31T09:28:52,765   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76
2025-08-31T09:28:52,766   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76
2025-08-31T09:28:52,768   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26
2025-08-31T09:28:52,770   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26
2025-08-31T09:28:52,772   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl
2025-08-31T09:28:52,773   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl
2025-08-31T09:28:52,776   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f
2025-08-31T09:28:52,777   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f
2025-08-31T09:28:52,779   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64
2025-08-31T09:28:52,780   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64
2025-08-31T09:28:52,783   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+
2025-08-31T09:28:52,784   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+
2025-08-31T09:28:52,786   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80
2025-08-31T09:28:52,788   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80
2025-08-31T09:28:52,790   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137
2025-08-31T09:28:52,791   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137
2025-08-31T09:28:52,794   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79
2025-08-31T09:28:52,795   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79
2025-08-31T09:28:52,797   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+
2025-08-31T09:28:52,798   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+
2025-08-31T09:28:52,801   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+
2025-08-31T09:28:52,802   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+
2025-08-31T09:28:52,804   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61
2025-08-31T09:28:52,806   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61
2025-08-31T09:28:52,808   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+
2025-08-31T09:28:52,809   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+
2025-08-31T09:28:52,812   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37
2025-08-31T09:28:52,813   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37
2025-08-31T09:28:52,815   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12
2025-08-31T09:28:52,816   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12
2025-08-31T09:28:52,819   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13
2025-08-31T09:28:52,820   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13
2025-08-31T09:28:52,822   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+
2025-08-31T09:28:52,824   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+
2025-08-31T09:28:52,826   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45
2025-08-31T09:28:52,827   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45
2025-08-31T09:28:52,830   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al
2025-08-31T09:28:52,831   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al
2025-08-31T09:28:52,834   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77
2025-08-31T09:28:52,835   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77
2025-08-31T09:28:52,838   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18
2025-08-31T09:28:52,839   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18
2025-08-31T09:28:52,841   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72
2025-08-31T09:28:52,842   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72
2025-08-31T09:28:52,845   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70
2025-08-31T09:28:52,846   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70
2025-08-31T09:28:52,848   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63
2025-08-31T09:28:52,850   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63
2025-08-31T09:28:52,852   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30
2025-08-31T09:28:52,853   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30
2025-08-31T09:28:52,856   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65
2025-08-31T09:28:52,857   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65
2025-08-31T09:28:52,859   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44
2025-08-31T09:28:52,860   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44
2025-08-31T09:28:52,863   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+
2025-08-31T09:28:52,864   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+
2025-08-31T09:28:52,866   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7
2025-08-31T09:28:52,868   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7
2025-08-31T09:28:52,871   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2
2025-08-31T09:28:52,872   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2
2025-08-31T09:28:52,875   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1
2025-08-31T09:28:52,876   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1
2025-08-31T09:28:52,879   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11
2025-08-31T09:28:52,880   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11
2025-08-31T09:28:52,882   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4
2025-08-31T09:28:52,883   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4
2025-08-31T09:28:52,886   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10
2025-08-31T09:28:52,887   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10
2025-08-31T09:28:52,889   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3
2025-08-31T09:28:52,891   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3
2025-08-31T09:28:52,893   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4
2025-08-31T09:28:52,894   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4
2025-08-31T09:28:52,897   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15
2025-08-31T09:28:52,898   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15
2025-08-31T09:28:52,901   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6
2025-08-31T09:28:52,902   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6
2025-08-31T09:28:52,904   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1
2025-08-31T09:28:52,906   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1
2025-08-31T09:28:52,908   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8
2025-08-31T09:28:52,909   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8
2025-08-31T09:28:52,911   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12
2025-08-31T09:28:52,913   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12
2025-08-31T09:28:52,915   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14
2025-08-31T09:28:52,916   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14
2025-08-31T09:28:52,919   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13
2025-08-31T09:28:52,920   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13
2025-08-31T09:28:52,922   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9
2025-08-31T09:28:52,923   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9
2025-08-31T09:28:52,926   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3
2025-08-31T09:28:52,927   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3
2025-08-31T09:28:52,929   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5
2025-08-31T09:28:52,930   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5
2025-08-31T09:28:52,933   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2
2025-08-31T09:28:52,934   copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2
2025-08-31T09:28:52,936   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42
2025-08-31T09:28:52,938   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42
2025-08-31T09:28:52,941   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:28:52,942   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:28:52,945   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1
2025-08-31T09:28:52,946   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1
2025-08-31T09:28:52,948   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0
2025-08-31T09:28:52,950   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0
2025-08-31T09:28:52,952   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0
2025-08-31T09:28:52,953   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0
2025-08-31T09:28:52,956   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42
2025-08-31T09:28:52,957   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42
2025-08-31T09:28:52,960   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2
2025-08-31T09:28:52,961   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2
2025-08-31T09:28:52,963   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71
2025-08-31T09:28:52,965   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71
2025-08-31T09:28:52,967   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41
2025-08-31T09:28:52,968   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41
2025-08-31T09:28:52,971   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:28:52,972   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:28:52,974   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2
2025-08-31T09:28:52,975   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2
2025-08-31T09:28:52,978   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0
2025-08-31T09:28:52,979   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0
2025-08-31T09:28:52,982   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72
2025-08-31T09:28:52,983   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72
2025-08-31T09:28:52,986   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43
2025-08-31T09:28:52,987   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43
2025-08-31T09:28:52,989   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71
2025-08-31T09:28:52,991   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71
2025-08-31T09:28:52,993   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:28:52,995   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:28:52,997   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0
2025-08-31T09:28:52,999   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0
2025-08-31T09:28:53,001   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1
2025-08-31T09:28:53,003   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1
2025-08-31T09:28:53,005   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72
2025-08-31T09:28:53,007   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72
2025-08-31T09:28:53,009   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2
2025-08-31T09:28:53,011   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2
2025-08-31T09:28:53,013   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4
2025-08-31T09:28:53,014   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4
2025-08-31T09:28:53,017   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2
2025-08-31T09:28:53,018   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2
2025-08-31T09:28:53,021   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41
2025-08-31T09:28:53,022   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41
2025-08-31T09:28:53,024   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3
2025-08-31T09:28:53,026   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3
2025-08-31T09:28:53,029   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3
2025-08-31T09:28:53,030   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3
2025-08-31T09:28:53,033   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2
2025-08-31T09:28:53,034   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2
2025-08-31T09:28:53,037   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41
2025-08-31T09:28:53,038   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41
2025-08-31T09:28:53,040   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1
2025-08-31T09:28:53,042   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1
2025-08-31T09:28:53,044   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0
2025-08-31T09:28:53,045   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0
2025-08-31T09:28:53,048   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3
2025-08-31T09:28:53,049   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3
2025-08-31T09:28:53,052   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42
2025-08-31T09:28:53,053   copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42
2025-08-31T09:28:53,056   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2
2025-08-31T09:28:53,057   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2
2025-08-31T09:28:53,060   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4
2025-08-31T09:28:53,061   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4
2025-08-31T09:28:53,064   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5
2025-08-31T09:28:53,065   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5
2025-08-31T09:28:53,067   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6
2025-08-31T09:28:53,069   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6
2025-08-31T09:28:53,071   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2
2025-08-31T09:28:53,073   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2
2025-08-31T09:28:53,075   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5
2025-08-31T09:28:53,076   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5
2025-08-31T09:28:53,079   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7
2025-08-31T09:28:53,080   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7
2025-08-31T09:28:53,083   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7
2025-08-31T09:28:53,084   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7
2025-08-31T09:28:53,087   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3
2025-08-31T09:28:53,088   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3
2025-08-31T09:28:53,091   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6
2025-08-31T09:28:53,092   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6
2025-08-31T09:28:53,095   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3
2025-08-31T09:28:53,096   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3
2025-08-31T09:28:53,099   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4
2025-08-31T09:28:53,101   copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4
2025-08-31T09:28:53,103   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470
2025-08-31T09:28:53,105   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470
2025-08-31T09:28:53,108   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691
2025-08-31T09:28:53,109   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691
2025-08-31T09:28:53,112   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:28:53,113   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:28:53,115   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224
2025-08-31T09:28:53,117   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224
2025-08-31T09:28:53,119   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:28:53,121   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:28:53,123   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366
2025-08-31T09:28:53,124   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366
2025-08-31T09:28:53,127   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300
2025-08-31T09:28:53,128   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300
2025-08-31T09:28:53,131   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:28:53,132   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:28:53,135   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:28:53,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:28:53,139   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412
2025-08-31T09:28:53,141   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412
2025-08-31T09:28:53,144   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99
2025-08-31T09:28:53,145   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99
2025-08-31T09:28:53,147   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:28:53,149   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:28:53,152   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357
2025-08-31T09:28:53,153   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357
2025-08-31T09:28:53,155   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b
2025-08-31T09:28:53,157   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b
2025-08-31T09:28:53,159   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:28:53,161   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:28:53,164   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114
2025-08-31T09:28:53,165   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114
2025-08-31T09:28:53,168   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:28:53,169   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:28:53,172   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444
2025-08-31T09:28:53,174   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444
2025-08-31T09:28:53,176   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:28:53,177   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:28:53,180   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:28:53,181   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:28:53,184   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215
2025-08-31T09:28:53,185   copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215
2025-08-31T09:28:53,188   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:28:53,190   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:28:53,192   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:28:53,194   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:28:53,196   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:28:53,198   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:28:53,200   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:28:53,202   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:28:53,204   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:28:53,205   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:28:53,208   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:28:53,209   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:28:53,212   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:28:53,213   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:28:53,216   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:28:53,217   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:28:53,220   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg
2025-08-31T09:28:53,221   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg
2025-08-31T09:28:53,223   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:28:53,225   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:28:53,227   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:28:53,229   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:28:53,231   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be
2025-08-31T09:28:53,233   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be
2025-08-31T09:28:53,235   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:28:53,237   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:28:53,239   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:28:53,241   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:28:53,243   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s
2025-08-31T09:28:53,245   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s
2025-08-31T09:28:53,247   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3
2025-08-31T09:28:53,249   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3
2025-08-31T09:28:53,251   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:28:53,252   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:28:53,255   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:28:53,256   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:28:53,259   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:28:53,260   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:28:53,263   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3
2025-08-31T09:28:53,264   copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3
2025-08-31T09:28:53,266   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn
2025-08-31T09:28:53,268   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn
2025-08-31T09:28:53,271   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn
2025-08-31T09:28:53,272   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn
2025-08-31T09:28:53,275   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f
2025-08-31T09:28:53,276   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f
2025-08-31T09:28:53,279   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf
2025-08-31T09:28:53,280   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf
2025-08-31T09:28:53,283   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo
2025-08-31T09:28:53,284   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo
2025-08-31T09:28:53,286   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2
2025-08-31T09:28:53,288   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2
2025-08-31T09:28:53,290   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3
2025-08-31T09:28:53,292   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3
2025-08-31T09:28:53,294   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn
2025-08-31T09:28:53,296   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn
2025-08-31T09:28:53,299   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf
2025-08-31T09:28:53,300   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf
2025-08-31T09:28:53,303   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2
2025-08-31T09:28:53,304   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2
2025-08-31T09:28:53,307   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo
2025-08-31T09:28:53,308   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo
2025-08-31T09:28:53,311   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:28:53,312   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:28:53,314   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf
2025-08-31T09:28:53,315   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf
2025-08-31T09:28:53,318   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o
2025-08-31T09:28:53,319   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o
2025-08-31T09:28:53,322   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:28:53,323   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:28:53,325   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n
2025-08-31T09:28:53,327   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n
2025-08-31T09:28:53,329   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2
2025-08-31T09:28:53,331   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2
2025-08-31T09:28:53,333   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:28:53,335   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:28:53,337   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco
2025-08-31T09:28:53,339   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco
2025-08-31T09:28:53,341   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh
2025-08-31T09:28:53,343   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh
2025-08-31T09:28:53,345   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc
2025-08-31T09:28:53,347   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc
2025-08-31T09:28:53,349   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi
2025-08-31T09:28:53,350   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi
2025-08-31T09:28:53,353   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2
2025-08-31T09:28:53,354   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2
2025-08-31T09:28:53,357   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4
2025-08-31T09:28:53,358   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4
2025-08-31T09:28:53,361   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio
2025-08-31T09:28:53,362   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio
2025-08-31T09:28:53,365   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o
2025-08-31T09:28:53,366   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o
2025-08-31T09:28:53,368   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:28:53,370   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:28:53,373   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs
2025-08-31T09:28:53,374   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs
2025-08-31T09:28:53,376   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h
2025-08-31T09:28:53,378   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h
2025-08-31T09:28:53,380   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene
2025-08-31T09:28:53,382   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene
2025-08-31T09:28:53,384   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo
2025-08-31T09:28:53,385   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo
2025-08-31T09:28:53,388   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne
2025-08-31T09:28:53,389   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne
2025-08-31T09:28:53,392   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn
2025-08-31T09:28:53,393   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn
2025-08-31T09:28:53,396   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:28:53,397   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:28:53,400   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s
2025-08-31T09:28:53,401   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s
2025-08-31T09:28:53,404   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si
2025-08-31T09:28:53,405   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si
2025-08-31T09:28:53,408   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh
2025-08-31T09:28:53,409   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh
2025-08-31T09:28:53,411   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc
2025-08-31T09:28:53,413   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc
2025-08-31T09:28:53,415   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3
2025-08-31T09:28:53,416   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3
2025-08-31T09:28:53,419   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs
2025-08-31T09:28:53,420   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs
2025-08-31T09:28:53,423   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf
2025-08-31T09:28:53,425   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf
2025-08-31T09:28:53,427   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo
2025-08-31T09:28:53,428   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo
2025-08-31T09:28:53,431   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco
2025-08-31T09:28:53,432   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco
2025-08-31T09:28:53,435   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf
2025-08-31T09:28:53,436   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf
2025-08-31T09:28:53,439   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2
2025-08-31T09:28:53,440   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2
2025-08-31T09:28:53,443   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic
2025-08-31T09:28:53,444   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic
2025-08-31T09:28:53,447   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh
2025-08-31T09:28:53,449   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh
2025-08-31T09:28:53,451   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co
2025-08-31T09:28:53,453   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co
2025-08-31T09:28:53,455   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o
2025-08-31T09:28:53,456   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o
2025-08-31T09:28:53,459   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh
2025-08-31T09:28:53,460   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh
2025-08-31T09:28:53,462   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4
2025-08-31T09:28:53,464   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4
2025-08-31T09:28:53,466   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2
2025-08-31T09:28:53,468   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2
2025-08-31T09:28:53,470   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf
2025-08-31T09:28:53,471   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf
2025-08-31T09:28:53,474   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4
2025-08-31T09:28:53,475   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4
2025-08-31T09:28:53,478   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh
2025-08-31T09:28:53,479   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh
2025-08-31T09:28:53,481   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh
2025-08-31T09:28:53,483   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh
2025-08-31T09:28:53,485   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf
2025-08-31T09:28:53,486   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf
2025-08-31T09:28:53,489   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2
2025-08-31T09:28:53,490   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2
2025-08-31T09:28:53,493   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch
2025-08-31T09:28:53,494   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch
2025-08-31T09:28:53,497   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so
2025-08-31T09:28:53,498   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so
2025-08-31T09:28:53,501   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof
2025-08-31T09:28:53,502   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof
2025-08-31T09:28:53,504   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3
2025-08-31T09:28:53,506   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3
2025-08-31T09:28:53,508   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3
2025-08-31T09:28:53,510   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3
2025-08-31T09:28:53,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h
2025-08-31T09:28:53,514   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h
2025-08-31T09:28:53,516   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6
2025-08-31T09:28:53,518   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6
2025-08-31T09:28:53,520   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2
2025-08-31T09:28:53,522   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2
2025-08-31T09:28:53,524   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be
2025-08-31T09:28:53,525   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be
2025-08-31T09:28:53,528   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof
2025-08-31T09:28:53,529   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof
2025-08-31T09:28:53,532   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o
2025-08-31T09:28:53,533   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o
2025-08-31T09:28:53,536   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo
2025-08-31T09:28:53,537   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo
2025-08-31T09:28:53,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3
2025-08-31T09:28:53,541   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3
2025-08-31T09:28:53,543   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p
2025-08-31T09:28:53,544   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p
2025-08-31T09:28:53,547   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic
2025-08-31T09:28:53,548   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic
2025-08-31T09:28:53,551   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif
2025-08-31T09:28:53,552   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif
2025-08-31T09:28:53,555   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c
2025-08-31T09:28:53,556   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c
2025-08-31T09:28:53,559   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2
2025-08-31T09:28:53,560   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2
2025-08-31T09:28:53,563   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f
2025-08-31T09:28:53,564   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f
2025-08-31T09:28:53,566   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene
2025-08-31T09:28:53,568   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene
2025-08-31T09:28:53,570   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol
2025-08-31T09:28:53,572   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol
2025-08-31T09:28:53,574   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3
2025-08-31T09:28:53,575   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3
2025-08-31T09:28:53,578   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:28:53,579   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:28:53,582   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b
2025-08-31T09:28:53,583   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b
2025-08-31T09:28:53,586   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof
2025-08-31T09:28:53,587   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof
2025-08-31T09:28:53,590   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono
2025-08-31T09:28:53,591   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono
2025-08-31T09:28:53,594   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:28:53,595   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:28:53,597   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2
2025-08-31T09:28:53,599   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2
2025-08-31T09:28:53,601   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl
2025-08-31T09:28:53,602   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl
2025-08-31T09:28:53,605   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f
2025-08-31T09:28:53,606   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f
2025-08-31T09:28:53,609   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o
2025-08-31T09:28:53,610   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o
2025-08-31T09:28:53,612   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2
2025-08-31T09:28:53,614   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2
2025-08-31T09:28:53,616   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn
2025-08-31T09:28:53,618   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn
2025-08-31T09:28:53,620   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4
2025-08-31T09:28:53,621   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4
2025-08-31T09:28:53,624   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f
2025-08-31T09:28:53,625   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f
2025-08-31T09:28:53,628   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene
2025-08-31T09:28:53,629   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene
2025-08-31T09:28:53,632   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4
2025-08-31T09:28:53,633   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4
2025-08-31T09:28:53,636   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2
2025-08-31T09:28:53,637   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2
2025-08-31T09:28:53,639   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2
2025-08-31T09:28:53,641   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2
2025-08-31T09:28:53,643   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:28:53,645   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:28:53,647   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl
2025-08-31T09:28:53,649   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl
2025-08-31T09:28:53,651   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo
2025-08-31T09:28:53,652   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo
2025-08-31T09:28:53,655   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2
2025-08-31T09:28:53,656   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2
2025-08-31T09:28:53,659   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2
2025-08-31T09:28:53,660   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2
2025-08-31T09:28:53,662   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:28:53,664   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:28:53,666   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh
2025-08-31T09:28:53,667   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh
2025-08-31T09:28:53,670   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2
2025-08-31T09:28:53,671   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2
2025-08-31T09:28:53,674   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh
2025-08-31T09:28:53,675   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh
2025-08-31T09:28:53,677   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl
2025-08-31T09:28:53,679   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl
2025-08-31T09:28:53,681   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s
2025-08-31T09:28:53,682   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s
2025-08-31T09:28:53,685   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3
2025-08-31T09:28:53,686   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3
2025-08-31T09:28:53,689   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch
2025-08-31T09:28:53,690   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch
2025-08-31T09:28:53,692   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl
2025-08-31T09:28:53,694   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl
2025-08-31T09:28:53,696   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane
2025-08-31T09:28:53,698   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane
2025-08-31T09:28:53,700   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch
2025-08-31T09:28:53,701   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch
2025-08-31T09:28:53,704   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs
2025-08-31T09:28:53,705   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs
2025-08-31T09:28:53,707   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6
2025-08-31T09:28:53,709   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6
2025-08-31T09:28:53,711   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn
2025-08-31T09:28:53,713   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn
2025-08-31T09:28:53,715   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2
2025-08-31T09:28:53,717   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2
2025-08-31T09:28:53,719   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3
2025-08-31T09:28:53,721   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3
2025-08-31T09:28:53,723   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2
2025-08-31T09:28:53,724   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2
2025-08-31T09:28:53,727   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih
2025-08-31T09:28:53,728   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih
2025-08-31T09:28:53,730   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co
2025-08-31T09:28:53,732   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co
2025-08-31T09:28:53,734   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6
2025-08-31T09:28:53,735   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6
2025-08-31T09:28:53,738   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al
2025-08-31T09:28:53,739   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al
2025-08-31T09:28:53,742   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2
2025-08-31T09:28:53,743   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2
2025-08-31T09:28:53,745   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3
2025-08-31T09:28:53,746   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3
2025-08-31T09:28:53,749   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4
2025-08-31T09:28:53,750   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4
2025-08-31T09:28:53,753   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2
2025-08-31T09:28:53,754   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2
2025-08-31T09:28:53,756   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4
2025-08-31T09:28:53,758   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4
2025-08-31T09:28:53,760   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn
2025-08-31T09:28:53,762   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn
2025-08-31T09:28:53,764   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono
2025-08-31T09:28:53,765   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono
2025-08-31T09:28:53,768   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no
2025-08-31T09:28:53,769   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no
2025-08-31T09:28:53,772   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3
2025-08-31T09:28:53,773   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3
2025-08-31T09:28:53,775   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:28:53,777   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:28:53,779   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of
2025-08-31T09:28:53,780   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of
2025-08-31T09:28:53,783   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o
2025-08-31T09:28:53,784   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o
2025-08-31T09:28:53,787   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh
2025-08-31T09:28:53,788   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh
2025-08-31T09:28:53,791   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2
2025-08-31T09:28:53,792   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2
2025-08-31T09:28:53,794   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co
2025-08-31T09:28:53,796   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co
2025-08-31T09:28:53,798   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane
2025-08-31T09:28:53,799   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane
2025-08-31T09:28:53,802   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f
2025-08-31T09:28:53,803   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f
2025-08-31T09:28:53,806   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal
2025-08-31T09:28:53,807   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal
2025-08-31T09:28:53,809   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl
2025-08-31T09:28:53,811   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl
2025-08-31T09:28:53,813   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno
2025-08-31T09:28:53,815   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno
2025-08-31T09:28:53,817   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn
2025-08-31T09:28:53,818   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn
2025-08-31T09:28:53,821   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2
2025-08-31T09:28:53,822   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2
2025-08-31T09:28:53,824   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol
2025-08-31T09:28:53,826   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol
2025-08-31T09:28:53,828   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene
2025-08-31T09:28:53,830   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene
2025-08-31T09:28:53,832   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3
2025-08-31T09:28:53,833   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3
2025-08-31T09:28:53,836   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane
2025-08-31T09:28:53,837   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane
2025-08-31T09:28:53,840   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c
2025-08-31T09:28:53,841   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c
2025-08-31T09:28:53,844   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2
2025-08-31T09:28:53,845   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2
2025-08-31T09:28:53,847   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno
2025-08-31T09:28:53,849   copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno
2025-08-31T09:28:53,851   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c
2025-08-31T09:28:53,854   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c
2025-08-31T09:28:53,856   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c
2025-08-31T09:28:53,858   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c
2025-08-31T09:28:53,860   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c
2025-08-31T09:28:53,862   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c
2025-08-31T09:28:53,864   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a
2025-08-31T09:28:53,865   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a
2025-08-31T09:28:53,867   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b
2025-08-31T09:28:53,869   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b
2025-08-31T09:28:53,871   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a
2025-08-31T09:28:53,873   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a
2025-08-31T09:28:53,875   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b
2025-08-31T09:28:53,876   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b
2025-08-31T09:28:53,879   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a
2025-08-31T09:28:53,880   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a
2025-08-31T09:28:53,883   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a
2025-08-31T09:28:53,884   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a
2025-08-31T09:28:53,887   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b
2025-08-31T09:28:53,888   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b
2025-08-31T09:28:53,891   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d
2025-08-31T09:28:53,892   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d
2025-08-31T09:28:53,894   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b
2025-08-31T09:28:53,896   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b
2025-08-31T09:28:53,898   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a
2025-08-31T09:28:53,900   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a
2025-08-31T09:28:53,902   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b
2025-08-31T09:28:53,904   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b
2025-08-31T09:28:53,906   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a
2025-08-31T09:28:53,908   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a
2025-08-31T09:28:53,910   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b
2025-08-31T09:28:53,911   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b
2025-08-31T09:28:53,914   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b
2025-08-31T09:28:53,915   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b
2025-08-31T09:28:53,918   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b
2025-08-31T09:28:53,919   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b
2025-08-31T09:28:53,922   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a
2025-08-31T09:28:53,923   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a
2025-08-31T09:28:53,925   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a
2025-08-31T09:28:53,927   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a
2025-08-31T09:28:53,929   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a
2025-08-31T09:28:53,931   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a
2025-08-31T09:28:53,933   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b
2025-08-31T09:28:53,934   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b
2025-08-31T09:28:53,937   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a
2025-08-31T09:28:53,938   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a
2025-08-31T09:28:53,940   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d
2025-08-31T09:28:53,942   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d
2025-08-31T09:28:53,944   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b
2025-08-31T09:28:53,946   copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b
2025-08-31T09:28:53,948   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04
2025-08-31T09:28:53,950   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04
2025-08-31T09:28:53,952   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23
2025-08-31T09:28:53,954   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23
2025-08-31T09:28:53,956   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43
2025-08-31T09:28:53,958   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43
2025-08-31T09:28:53,960   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11
2025-08-31T09:28:53,962   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11
2025-08-31T09:28:53,964   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4
2025-08-31T09:28:53,966   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4
2025-08-31T09:28:53,968   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2
2025-08-31T09:28:53,970   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2
2025-08-31T09:28:53,972   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31
2025-08-31T09:28:53,974   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31
2025-08-31T09:28:53,976   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15
2025-08-31T09:28:53,978   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15
2025-08-31T09:28:53,980   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09
2025-08-31T09:28:53,982   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09
2025-08-31T09:28:53,984   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20
2025-08-31T09:28:53,985   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20
2025-08-31T09:28:53,988   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36
2025-08-31T09:28:53,989   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36
2025-08-31T09:28:53,992   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01
2025-08-31T09:28:53,993   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01
2025-08-31T09:28:53,996   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06
2025-08-31T09:28:53,997   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06
2025-08-31T09:28:53,999   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32
2025-08-31T09:28:54,001   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32
2025-08-31T09:28:54,003   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39
2025-08-31T09:28:54,004   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39
2025-08-31T09:28:54,007   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4
2025-08-31T09:28:54,008   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4
2025-08-31T09:28:54,010   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2
2025-08-31T09:28:54,012   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2
2025-08-31T09:28:54,014   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2
2025-08-31T09:28:54,015   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2
2025-08-31T09:28:54,018   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14
2025-08-31T09:28:54,019   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14
2025-08-31T09:28:54,022   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2
2025-08-31T09:28:54,023   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2
2025-08-31T09:28:54,025   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34
2025-08-31T09:28:54,027   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34
2025-08-31T09:28:54,029   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH
2025-08-31T09:28:54,030   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH
2025-08-31T09:28:54,033   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38
2025-08-31T09:28:54,034   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38
2025-08-31T09:28:54,037   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22
2025-08-31T09:28:54,038   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22
2025-08-31T09:28:54,041   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2
2025-08-31T09:28:54,042   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2
2025-08-31T09:28:54,044   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2
2025-08-31T09:28:54,046   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2
2025-08-31T09:28:54,048   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH
2025-08-31T09:28:54,050   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH
2025-08-31T09:28:54,052   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07
2025-08-31T09:28:54,054   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07
2025-08-31T09:28:54,056   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2
2025-08-31T09:28:54,057   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2
2025-08-31T09:28:54,060   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29
2025-08-31T09:28:54,062   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29
2025-08-31T09:28:54,064   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19
2025-08-31T09:28:54,065   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19
2025-08-31T09:28:54,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24
2025-08-31T09:28:54,069   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24
2025-08-31T09:28:54,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33
2025-08-31T09:28:54,073   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33
2025-08-31T09:28:54,075   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25
2025-08-31T09:28:54,077   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25
2025-08-31T09:28:54,079   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28
2025-08-31T09:28:54,081   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28
2025-08-31T09:28:54,083   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35
2025-08-31T09:28:54,084   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35
2025-08-31T09:28:54,087   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16
2025-08-31T09:28:54,088   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16
2025-08-31T09:28:54,091   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26
2025-08-31T09:28:54,092   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26
2025-08-31T09:28:54,094   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03
2025-08-31T09:28:54,096   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03
2025-08-31T09:28:54,098   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05
2025-08-31T09:28:54,099   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05
2025-08-31T09:28:54,102   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2
2025-08-31T09:28:54,103   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2
2025-08-31T09:28:54,105   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08
2025-08-31T09:28:54,107   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08
2025-08-31T09:28:54,109   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10
2025-08-31T09:28:54,110   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10
2025-08-31T09:28:54,113   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41
2025-08-31T09:28:54,114   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41
2025-08-31T09:28:54,117   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3
2025-08-31T09:28:54,119   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3
2025-08-31T09:28:54,122   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37
2025-08-31T09:28:54,123   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37
2025-08-31T09:28:54,126   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12
2025-08-31T09:28:54,127   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12
2025-08-31T09:28:54,130   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02
2025-08-31T09:28:54,131   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02
2025-08-31T09:28:54,134   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13
2025-08-31T09:28:54,135   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13
2025-08-31T09:28:54,138   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18
2025-08-31T09:28:54,139   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18
2025-08-31T09:28:54,141   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40
2025-08-31T09:28:54,143   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40
2025-08-31T09:28:54,145   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2
2025-08-31T09:28:54,147   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2
2025-08-31T09:28:54,149   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30
2025-08-31T09:28:54,150   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30
2025-08-31T09:28:54,153   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21
2025-08-31T09:28:54,154   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21
2025-08-31T09:28:54,156   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27
2025-08-31T09:28:54,158   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27
2025-08-31T09:28:54,160   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3
2025-08-31T09:28:54,162   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3
2025-08-31T09:28:54,164   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42
2025-08-31T09:28:54,165   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42
2025-08-31T09:28:54,168   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17
2025-08-31T09:28:54,169   copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17
2025-08-31T09:28:54,172   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:28:54,174   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:28:54,176   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:28:54,178   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:28:54,180   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02
2025-08-31T09:28:54,182   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02
2025-08-31T09:28:54,184   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:28:54,186   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:28:54,188   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o
2025-08-31T09:28:54,189   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o
2025-08-31T09:28:54,192   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2
2025-08-31T09:28:54,193   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2
2025-08-31T09:28:54,196   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05
2025-08-31T09:28:54,197   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05
2025-08-31T09:28:54,200   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08
2025-08-31T09:28:54,201   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08
2025-08-31T09:28:54,203   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18
2025-08-31T09:28:54,205   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18
2025-08-31T09:28:54,207   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h
2025-08-31T09:28:54,208   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h
2025-08-31T09:28:54,210   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:28:54,212   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:28:54,214   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06
2025-08-31T09:28:54,215   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06
2025-08-31T09:28:54,217   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2
2025-08-31T09:28:54,219   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2
2025-08-31T09:28:54,221   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:28:54,222   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:28:54,225   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5
2025-08-31T09:28:54,226   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5
2025-08-31T09:28:54,228   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15
2025-08-31T09:28:54,230   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15
2025-08-31T09:28:54,232   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:28:54,234   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:28:54,236   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:28:54,238   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:28:54,240   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc
2025-08-31T09:28:54,241   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc
2025-08-31T09:28:54,244   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf
2025-08-31T09:28:54,245   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf
2025-08-31T09:28:54,248   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:28:54,249   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:28:54,252   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco
2025-08-31T09:28:54,253   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco
2025-08-31T09:28:54,256   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4
2025-08-31T09:28:54,257   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4
2025-08-31T09:28:54,259   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14
2025-08-31T09:28:54,261   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14
2025-08-31T09:28:54,263   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh
2025-08-31T09:28:54,265   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh
2025-08-31T09:28:54,267   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13
2025-08-31T09:28:54,269   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13
2025-08-31T09:28:54,271   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:28:54,272   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:28:54,275   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09
2025-08-31T09:28:54,276   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09
2025-08-31T09:28:54,278   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf
2025-08-31T09:28:54,280   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf
2025-08-31T09:28:54,282   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2
2025-08-31T09:28:54,284   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2
2025-08-31T09:28:54,286   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2
2025-08-31T09:28:54,288   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2
2025-08-31T09:28:54,290   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07
2025-08-31T09:28:54,292   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07
2025-08-31T09:28:54,294   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8
2025-08-31T09:28:54,295   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8
2025-08-31T09:28:54,298   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:28:54,299   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:28:54,302   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10
2025-08-31T09:28:54,303   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10
2025-08-31T09:28:54,306   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:28:54,307   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:28:54,310   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:28:54,311   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:28:54,314   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:28:54,315   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:28:54,318   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts
2025-08-31T09:28:54,319   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts
2025-08-31T09:28:54,322   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2
2025-08-31T09:28:54,323   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2
2025-08-31T09:28:54,326   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl
2025-08-31T09:28:54,327   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl
2025-08-31T09:28:54,330   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f
2025-08-31T09:28:54,331   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f
2025-08-31T09:28:54,334   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19
2025-08-31T09:28:54,335   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19
2025-08-31T09:28:54,338   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:28:54,339   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:28:54,342   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03
2025-08-31T09:28:54,343   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03
2025-08-31T09:28:54,346   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:28:54,347   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:28:54,350   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3
2025-08-31T09:28:54,351   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3
2025-08-31T09:28:54,353   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16
2025-08-31T09:28:54,355   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16
2025-08-31T09:28:54,357   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3
2025-08-31T09:28:54,358   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3
2025-08-31T09:28:54,361   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12
2025-08-31T09:28:54,363   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12
2025-08-31T09:28:54,365   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6
2025-08-31T09:28:54,367   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6
2025-08-31T09:28:54,369   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:28:54,371   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:28:54,373   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S
2025-08-31T09:28:54,375   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S
2025-08-31T09:28:54,377   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01
2025-08-31T09:28:54,379   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01
2025-08-31T09:28:54,382   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O
2025-08-31T09:28:54,383   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O
2025-08-31T09:28:54,386   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04
2025-08-31T09:28:54,387   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04
2025-08-31T09:28:54,390   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20
2025-08-31T09:28:54,391   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20
2025-08-31T09:28:54,394   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts
2025-08-31T09:28:54,395   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts
2025-08-31T09:28:54,398   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7
2025-08-31T09:28:54,399   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7
2025-08-31T09:28:54,402   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H
2025-08-31T09:28:54,403   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H
2025-08-31T09:28:54,405   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-
2025-08-31T09:28:54,407   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-
2025-08-31T09:28:54,409   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS
2025-08-31T09:28:54,410   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS
2025-08-31T09:28:54,413   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3
2025-08-31T09:28:54,414   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3
2025-08-31T09:28:54,417   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-
2025-08-31T09:28:54,418   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-
2025-08-31T09:28:54,421   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4
2025-08-31T09:28:54,422   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4
2025-08-31T09:28:54,424   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2
2025-08-31T09:28:54,426   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2
2025-08-31T09:28:54,428   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22
2025-08-31T09:28:54,430   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22
2025-08-31T09:28:54,432   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5
2025-08-31T09:28:54,434   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5
2025-08-31T09:28:54,436   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:28:54,438   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:28:54,440   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:28:54,442   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:28:54,444   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH
2025-08-31T09:28:54,446   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH
2025-08-31T09:28:54,448   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:28:54,450   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:28:54,452   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co
2025-08-31T09:28:54,454   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co
2025-08-31T09:28:54,456   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:28:54,458   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:28:54,460   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts
2025-08-31T09:28:54,462   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts
2025-08-31T09:28:54,464   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f
2025-08-31T09:28:54,466   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f
2025-08-31T09:28:54,468   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O
2025-08-31T09:28:54,470   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O
2025-08-31T09:28:54,472   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2
2025-08-31T09:28:54,474   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2
2025-08-31T09:28:54,476   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl
2025-08-31T09:28:54,477   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl
2025-08-31T09:28:54,480   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:28:54,481   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:28:54,484   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots
2025-08-31T09:28:54,485   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots
2025-08-31T09:28:54,488   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn
2025-08-31T09:28:54,489   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn
2025-08-31T09:28:54,491   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11
2025-08-31T09:28:54,493   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11
2025-08-31T09:28:54,495   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21
2025-08-31T09:28:54,497   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21
2025-08-31T09:28:54,499   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17
2025-08-31T09:28:54,500   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17
2025-08-31T09:28:54,503   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-
2025-08-31T09:28:54,504   copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-
2025-08-31T09:28:54,507   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:28:54,509   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:28:54,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:28:54,513   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:28:54,516   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:28:54,517   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:28:54,520   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:28:54,521   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:28:54,524   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:28:54,526   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:28:54,529   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:28:54,530   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:28:54,533   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:28:54,534   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:28:54,537   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:28:54,539   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:28:54,541   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:28:54,543   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:28:54,545   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:28:54,547   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:28:54,549   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:28:54,550   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:28:54,553   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:28:54,555   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:28:54,557   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:28:54,559   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:28:54,561   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:28:54,563   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:28:54,565   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:28:54,566   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:28:54,569   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:28:54,571   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:28:54,573   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:28:54,574   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:28:54,577   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:28:54,579   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:28:54,581   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:28:54,583   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:28:54,585   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:28:54,586   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:28:54,589   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:28:54,591   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:28:54,593   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:28:54,594   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:28:54,597   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:28:54,599   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:28:54,601   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:28:54,603   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:28:54,605   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:28:54,607   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:28:54,609   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:28:54,611   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:28:54,613   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:28:54,615   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:28:54,617   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:28:54,618   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:28:54,621   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:28:54,623   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:28:54,625   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:28:54,626   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:28:54,629   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:28:54,630   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:28:54,633   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:28:54,634   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:28:54,637   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:28:54,639   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:28:54,642   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:28:54,643   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:28:54,646   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:28:54,647   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:28:54,650   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:28:54,651   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:28:54,654   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:28:54,656   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:28:54,658   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:28:54,660   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:28:54,662   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:28:54,664   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:28:54,666   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:28:54,668   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:28:54,671   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:28:54,672   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:28:54,674   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:28:54,676   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:28:54,679   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:28:54,680   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:28:54,682   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:28:54,684   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:28:54,686   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:28:54,687   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:28:54,690   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:28:54,691   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:28:54,694   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:28:54,695   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:28:54,698   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:28:54,700   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:28:54,702   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:28:54,703   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:28:54,706   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:28:54,707   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:28:54,710   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:28:54,712   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:28:54,714   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:28:54,716   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:28:54,718   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:28:54,720   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:28:54,722   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:28:54,724   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:28:54,726   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:28:54,728   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:28:54,731   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:28:54,732   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:28:54,735   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:28:54,736   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:28:54,739   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:28:54,740   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:28:54,742   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:28:54,744   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:28:54,746   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:28:54,748   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:28:54,750   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:28:54,751   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:28:54,754   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:28:54,755   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:28:54,758   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:28:54,759   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:28:54,762   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:28:54,763   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:28:54,766   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:28:54,767   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:28:54,770   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:28:54,771   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:28:54,774   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:28:54,776   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:28:54,778   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:28:54,780   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:28:54,782   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:28:54,784   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:28:54,786   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:28:54,788   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:28:54,790   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:28:54,792   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:28:54,795   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:28:54,796   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:28:54,799   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:28:54,801   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:28:54,803   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:28:54,804   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:28:54,807   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:28:54,808   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:28:54,811   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:28:54,812   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:28:54,815   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:28:54,816   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:28:54,819   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:28:54,820   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:28:54,823   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:28:54,824   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:28:54,827   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:28:54,828   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:28:54,831   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:28:54,833   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:28:54,835   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:28:54,837   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:28:54,839   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:28:54,841   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:28:54,843   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:28:54,845   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:28:54,847   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:28:54,849   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:28:54,851   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:28:54,853   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:28:54,855   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:28:54,857   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:28:54,860   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:28:54,861   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:28:54,864   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:28:54,865   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:28:54,868   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:28:54,869   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:28:54,872   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:28:54,873   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:28:54,876   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:28:54,877   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:28:54,880   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:28:54,881   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:28:54,884   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:28:54,885   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:28:54,887   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:28:54,889   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:28:54,892   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:28:54,893   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:28:54,895   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:28:54,897   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:28:54,900   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:28:54,901   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:28:54,904   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:28:54,905   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:28:54,908   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:28:54,909   copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:28:54,912   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49
2025-08-31T09:28:54,915   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49
2025-08-31T09:28:54,917   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40
2025-08-31T09:28:54,919   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40
2025-08-31T09:28:54,921   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51
2025-08-31T09:28:54,922   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51
2025-08-31T09:28:54,925   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40
2025-08-31T09:28:54,926   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40
2025-08-31T09:28:54,929   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25
2025-08-31T09:28:54,931   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25
2025-08-31T09:28:54,933   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45
2025-08-31T09:28:54,935   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45
2025-08-31T09:28:54,937   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44
2025-08-31T09:28:54,939   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44
2025-08-31T09:28:54,941   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57
2025-08-31T09:28:54,942   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57
2025-08-31T09:28:54,945   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48
2025-08-31T09:28:54,946   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48
2025-08-31T09:28:54,949   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22
2025-08-31T09:28:54,950   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22
2025-08-31T09:28:54,952   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47
2025-08-31T09:28:54,954   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47
2025-08-31T09:28:54,956   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26
2025-08-31T09:28:54,957   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26
2025-08-31T09:28:54,960   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43
2025-08-31T09:28:54,961   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43
2025-08-31T09:28:54,964   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52
2025-08-31T09:28:54,965   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52
2025-08-31T09:28:54,967   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25
2025-08-31T09:28:54,969   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25
2025-08-31T09:28:54,971   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20
2025-08-31T09:28:54,973   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20
2025-08-31T09:28:54,975   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29
2025-08-31T09:28:54,977   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29
2025-08-31T09:28:54,980   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21
2025-08-31T09:28:54,981   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21
2025-08-31T09:28:54,984   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47
2025-08-31T09:28:54,985   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47
2025-08-31T09:28:54,988   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56
2025-08-31T09:28:54,989   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56
2025-08-31T09:28:54,991   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51
2025-08-31T09:28:54,993   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51
2025-08-31T09:28:54,995   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49
2025-08-31T09:28:54,996   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49
2025-08-31T09:28:54,999   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20
2025-08-31T09:28:55,001   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20
2025-08-31T09:28:55,003   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44
2025-08-31T09:28:55,004   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44
2025-08-31T09:28:55,007   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52
2025-08-31T09:28:55,008   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52
2025-08-31T09:28:55,010   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26
2025-08-31T09:28:55,012   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26
2025-08-31T09:28:55,014   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46
2025-08-31T09:28:55,015   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46
2025-08-31T09:28:55,018   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48
2025-08-31T09:28:55,019   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48
2025-08-31T09:28:55,022   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43
2025-08-31T09:28:55,023   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43
2025-08-31T09:28:55,025   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46
2025-08-31T09:28:55,027   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46
2025-08-31T09:28:55,029   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56
2025-08-31T09:28:55,031   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56
2025-08-31T09:28:55,033   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60
2025-08-31T09:28:55,035   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60
2025-08-31T09:28:55,037   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28
2025-08-31T09:28:55,039   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28
2025-08-31T09:28:55,041   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60
2025-08-31T09:28:55,042   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60
2025-08-31T09:28:55,045   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45
2025-08-31T09:28:55,046   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45
2025-08-31T09:28:55,049   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22
2025-08-31T09:28:55,050   copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22
2025-08-31T09:28:55,053   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o
2025-08-31T09:28:55,055   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o
2025-08-31T09:28:55,057   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12
2025-08-31T09:28:55,059   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12
2025-08-31T09:28:55,061   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15
2025-08-31T09:28:55,063   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15
2025-08-31T09:28:55,065   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n
2025-08-31T09:28:55,067   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n
2025-08-31T09:28:55,069   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f
2025-08-31T09:28:55,071   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f
2025-08-31T09:28:55,073   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14
2025-08-31T09:28:55,075   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14
2025-08-31T09:28:55,077   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-
2025-08-31T09:28:55,078   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-
2025-08-31T09:28:55,081   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl
2025-08-31T09:28:55,082   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl
2025-08-31T09:28:55,084   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p
2025-08-31T09:28:55,086   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p
2025-08-31T09:28:55,088   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n
2025-08-31T09:28:55,090   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n
2025-08-31T09:28:55,092   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20
2025-08-31T09:28:55,093   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20
2025-08-31T09:28:55,096   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n
2025-08-31T09:28:55,097   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n
2025-08-31T09:28:55,100   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n
2025-08-31T09:28:55,101   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n
2025-08-31T09:28:55,104   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c
2025-08-31T09:28:55,105   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c
2025-08-31T09:28:55,107   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19
2025-08-31T09:28:55,109   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19
2025-08-31T09:28:55,111   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10
2025-08-31T09:28:55,113   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10
2025-08-31T09:28:55,115   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21
2025-08-31T09:28:55,116   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21
2025-08-31T09:28:55,119   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13
2025-08-31T09:28:55,120   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13
2025-08-31T09:28:55,123   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22
2025-08-31T09:28:55,124   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22
2025-08-31T09:28:55,127   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11
2025-08-31T09:28:55,128   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11
2025-08-31T09:28:55,130   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n
2025-08-31T09:28:55,132   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n
2025-08-31T09:28:55,134   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8
2025-08-31T09:28:55,136   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8
2025-08-31T09:28:55,138   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si
2025-08-31T09:28:55,140   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si
2025-08-31T09:28:55,142   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-
2025-08-31T09:28:55,143   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-
2025-08-31T09:28:55,145   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9
2025-08-31T09:28:55,147   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9
2025-08-31T09:28:55,149   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n
2025-08-31T09:28:55,150   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n
2025-08-31T09:28:55,153   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-
2025-08-31T09:28:55,154   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-
2025-08-31T09:28:55,156   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16
2025-08-31T09:28:55,158   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16
2025-08-31T09:28:55,160   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n
2025-08-31T09:28:55,162   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n
2025-08-31T09:28:55,164   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n
2025-08-31T09:28:55,165   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n
2025-08-31T09:28:55,168   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-
2025-08-31T09:28:55,169   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-
2025-08-31T09:28:55,172   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-
2025-08-31T09:28:55,173   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-
2025-08-31T09:28:55,176   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n
2025-08-31T09:28:55,177   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n
2025-08-31T09:28:55,180   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17
2025-08-31T09:28:55,181   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17
2025-08-31T09:28:55,184   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n
2025-08-31T09:28:55,185   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n
2025-08-31T09:28:55,188   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n
2025-08-31T09:28:55,189   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n
2025-08-31T09:28:55,192   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-
2025-08-31T09:28:55,193   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-
2025-08-31T09:28:55,196   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25
2025-08-31T09:28:55,197   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25
2025-08-31T09:28:55,200   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n
2025-08-31T09:28:55,202   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n
2025-08-31T09:28:55,204   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n
2025-08-31T09:28:55,206   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n
2025-08-31T09:28:55,208   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n
2025-08-31T09:28:55,209   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n
2025-08-31T09:28:55,212   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24
2025-08-31T09:28:55,213   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24
2025-08-31T09:28:55,215   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n
2025-08-31T09:28:55,217   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n
2025-08-31T09:28:55,219   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s
2025-08-31T09:28:55,221   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s
2025-08-31T09:28:55,223   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n
2025-08-31T09:28:55,224   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n
2025-08-31T09:28:55,227   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n
2025-08-31T09:28:55,228   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n
2025-08-31T09:28:55,231   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18
2025-08-31T09:28:55,232   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18
2025-08-31T09:28:55,235   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:28:55,236   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:28:55,239   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n
2025-08-31T09:28:55,240   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n
2025-08-31T09:28:55,243   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23
2025-08-31T09:28:55,244   copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23
2025-08-31T09:28:55,247   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:28:55,249   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:28:55,252   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:28:55,253   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:28:55,256   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:28:55,257   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:28:55,260   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:28:55,261   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:28:55,264   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:28:55,266   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:28:55,268   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:28:55,270   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:28:55,272   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:28:55,274   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:28:55,276   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:28:55,278   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:28:55,281   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:28:55,282   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:28:55,284   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:28:55,286   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:28:55,288   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:28:55,290   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:28:55,292   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:28:55,294   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:28:55,296   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:28:55,298   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:28:55,301   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:28:55,302   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:28:55,304   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:28:55,306   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:28:55,308   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:28:55,309   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:28:55,312   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:28:55,313   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:28:55,316   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:28:55,317   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:28:55,320   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS
2025-08-31T09:28:55,321   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS
2025-08-31T09:28:55,324   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:28:55,325   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:28:55,328   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:28:55,329   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:28:55,331   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:28:55,333   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:28:55,335   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:28:55,337   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:28:55,339   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:28:55,341   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:28:55,343   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:28:55,345   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:28:55,347   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:28:55,349   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:28:55,351   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:28:55,352   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:28:55,355   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl
2025-08-31T09:28:55,356   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl
2025-08-31T09:28:55,359   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:28:55,360   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:28:55,362   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:28:55,364   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:28:55,366   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:28:55,368   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:28:55,370   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:28:55,372   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:28:55,374   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2
2025-08-31T09:28:55,376   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2
2025-08-31T09:28:55,378   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:28:55,380   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:28:55,382   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:28:55,383   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:28:55,386   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:28:55,387   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:28:55,390   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:28:55,391   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:28:55,394   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:28:55,395   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:28:55,398   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:28:55,399   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:28:55,402   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:28:55,403   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:28:55,406   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:28:55,407   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:28:55,410   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI
2025-08-31T09:28:55,411   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI
2025-08-31T09:28:55,413   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:28:55,415   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:28:55,417   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:28:55,419   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:28:55,421   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:28:55,422   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:28:55,425   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:28:55,426   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:28:55,429   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:28:55,430   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:28:55,433   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:28:55,434   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:28:55,437   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:28:55,438   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:28:55,441   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:28:55,442   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:28:55,445   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:28:55,446   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:28:55,449   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr
2025-08-31T09:28:55,450   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr
2025-08-31T09:28:55,453   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:28:55,454   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:28:55,457   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:28:55,458   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:28:55,461   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:28:55,463   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:28:55,466   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:28:55,468   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:28:55,471   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:28:55,472   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:28:55,475   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:28:55,476   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:28:55,479   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:28:55,480   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:28:55,483   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:28:55,484   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:28:55,487   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr
2025-08-31T09:28:55,488   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr
2025-08-31T09:28:55,491   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI
2025-08-31T09:28:55,492   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI
2025-08-31T09:28:55,495   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr
2025-08-31T09:28:55,496   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr
2025-08-31T09:28:55,499   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:28:55,500   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:28:55,503   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3
2025-08-31T09:28:55,504   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3
2025-08-31T09:28:55,507   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:28:55,508   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:28:55,511   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:28:55,512   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:28:55,515   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI
2025-08-31T09:28:55,516   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI
2025-08-31T09:28:55,519   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH
2025-08-31T09:28:55,520   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH
2025-08-31T09:28:55,522   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:28:55,524   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:28:55,527   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:28:55,528   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:28:55,531   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:28:55,532   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:28:55,535   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe
2025-08-31T09:28:55,537   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe
2025-08-31T09:28:55,540   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:28:55,541   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:28:55,544   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:28:55,547   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:28:55,550   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:28:55,552   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:28:55,554   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:28:55,556   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:28:55,559   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:28:55,560   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:28:55,563   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:28:55,565   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:28:55,567   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:28:55,569   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:28:55,572   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:28:55,574   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:28:55,577   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH
2025-08-31T09:28:55,578   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH
2025-08-31T09:28:55,581   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:28:55,583   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:28:55,585   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:28:55,587   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:28:55,590   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:28:55,591   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:28:55,594   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3
2025-08-31T09:28:55,596   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3
2025-08-31T09:28:55,599   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:28:55,600   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:28:55,603   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr
2025-08-31T09:28:55,605   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr
2025-08-31T09:28:55,607   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:28:55,609   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:28:55,612   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:28:55,614   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:28:55,617   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:28:55,618   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:28:55,621   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:28:55,623   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:28:55,625   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:28:55,627   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:28:55,630   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:28:55,631   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:28:55,634   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:28:55,636   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:28:55,638   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:28:55,640   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:28:55,643   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI
2025-08-31T09:28:55,645   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI
2025-08-31T09:28:55,647   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS
2025-08-31T09:28:55,649   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS
2025-08-31T09:28:55,652   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH
2025-08-31T09:28:55,653   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH
2025-08-31T09:28:55,656   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:28:55,657   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:28:55,660   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:28:55,662   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:28:55,665   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:28:55,666   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:28:55,669   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:28:55,671   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:28:55,675   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:28:55,677   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:28:55,679   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:28:55,681   copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:28:55,684   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7
2025-08-31T09:28:55,686   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7
2025-08-31T09:28:55,689   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:28:55,691   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:28:55,694   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9
2025-08-31T09:28:55,695   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9
2025-08-31T09:28:55,698   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2
2025-08-31T09:28:55,700   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2
2025-08-31T09:28:55,703   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9
2025-08-31T09:28:55,705   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9
2025-08-31T09:28:55,707   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4
2025-08-31T09:28:55,709   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4
2025-08-31T09:28:55,712   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2
2025-08-31T09:28:55,714   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2
2025-08-31T09:28:55,716   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:28:55,718   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:28:55,720   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5
2025-08-31T09:28:55,722   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5
2025-08-31T09:28:55,725   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4
2025-08-31T09:28:55,727   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4
2025-08-31T09:28:55,729   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:28:55,731   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:28:55,734   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6
2025-08-31T09:28:55,736   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6
2025-08-31T09:28:55,739   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:28:55,740   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:28:55,743   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:28:55,745   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:28:55,748   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7
2025-08-31T09:28:55,749   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7
2025-08-31T09:28:55,752   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o
2025-08-31T09:28:55,754   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o
2025-08-31T09:28:55,757   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6
2025-08-31T09:28:55,758   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6
2025-08-31T09:28:55,761   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5
2025-08-31T09:28:55,763   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5
2025-08-31T09:28:55,765   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1
2025-08-31T09:28:55,767   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1
2025-08-31T09:28:55,770   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:28:55,771   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:28:55,774   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8
2025-08-31T09:28:55,776   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8
2025-08-31T09:28:55,779   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:28:55,781   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:28:55,784   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1
2025-08-31T09:28:55,786   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1
2025-08-31T09:28:55,788   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8
2025-08-31T09:28:55,790   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8
2025-08-31T09:28:55,793   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:28:55,794   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:28:55,797   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3
2025-08-31T09:28:55,799   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3
2025-08-31T09:28:55,802   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3
2025-08-31T09:28:55,803   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3
2025-08-31T09:28:55,806   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:28:55,808   copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:28:55,811   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29
2025-08-31T09:28:55,813   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29
2025-08-31T09:28:55,815   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28
2025-08-31T09:28:55,817   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28
2025-08-31T09:28:55,820   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20
2025-08-31T09:28:55,822   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20
2025-08-31T09:28:55,824   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9
2025-08-31T09:28:55,826   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9
2025-08-31T09:28:55,829   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33
2025-08-31T09:28:55,831   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33
2025-08-31T09:28:55,834   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24
2025-08-31T09:28:55,836   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24
2025-08-31T09:28:55,838   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11
2025-08-31T09:28:55,840   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11
2025-08-31T09:28:55,843   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15
2025-08-31T09:28:55,845   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15
2025-08-31T09:28:55,847   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16
2025-08-31T09:28:55,850   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16
2025-08-31T09:28:55,852   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19
2025-08-31T09:28:55,854   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19
2025-08-31T09:28:55,857   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32
2025-08-31T09:28:55,858   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32
2025-08-31T09:28:55,861   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8
2025-08-31T09:28:55,863   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8
2025-08-31T09:28:55,865   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34
2025-08-31T09:28:55,867   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34
2025-08-31T09:28:55,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7
2025-08-31T09:28:55,872   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7
2025-08-31T09:28:55,875   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24
2025-08-31T09:28:55,876   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24
2025-08-31T09:28:55,879   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17
2025-08-31T09:28:55,881   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17
2025-08-31T09:28:55,883   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12
2025-08-31T09:28:55,885   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12
2025-08-31T09:28:55,888   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21
2025-08-31T09:28:55,890   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21
2025-08-31T09:28:55,892   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25
2025-08-31T09:28:55,894   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25
2025-08-31T09:28:55,897   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1
2025-08-31T09:28:55,899   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1
2025-08-31T09:28:55,901   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23
2025-08-31T09:28:55,903   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23
2025-08-31T09:28:55,905   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13
2025-08-31T09:28:55,907   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13
2025-08-31T09:28:55,909   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4
2025-08-31T09:28:55,911   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4
2025-08-31T09:28:55,914   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13
2025-08-31T09:28:55,915   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13
2025-08-31T09:28:55,918   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33
2025-08-31T09:28:55,920   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33
2025-08-31T09:28:55,922   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15
2025-08-31T09:28:55,924   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15
2025-08-31T09:28:55,927   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31
2025-08-31T09:28:55,929   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31
2025-08-31T09:28:55,931   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3
2025-08-31T09:28:55,933   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3
2025-08-31T09:28:55,935   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31
2025-08-31T09:28:55,936   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31
2025-08-31T09:28:55,939   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22
2025-08-31T09:28:55,940   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22
2025-08-31T09:28:55,943   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30
2025-08-31T09:28:55,944   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30
2025-08-31T09:28:55,946   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6
2025-08-31T09:28:55,948   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6
2025-08-31T09:28:55,950   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23
2025-08-31T09:28:55,952   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23
2025-08-31T09:28:55,954   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10
2025-08-31T09:28:55,956   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10
2025-08-31T09:28:55,958   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4
2025-08-31T09:28:55,959   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4
2025-08-31T09:28:55,962   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8
2025-08-31T09:28:55,963   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8
2025-08-31T09:28:55,966   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14
2025-08-31T09:28:55,967   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14
2025-08-31T09:28:55,970   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16
2025-08-31T09:28:55,971   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16
2025-08-31T09:28:55,974   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28
2025-08-31T09:28:55,975   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28
2025-08-31T09:28:55,978   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18
2025-08-31T09:28:55,979   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18
2025-08-31T09:28:55,982   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2
2025-08-31T09:28:55,983   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2
2025-08-31T09:28:55,986   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32
2025-08-31T09:28:55,987   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32
2025-08-31T09:28:55,990   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20
2025-08-31T09:28:55,991   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20
2025-08-31T09:28:55,994   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3
2025-08-31T09:28:55,995   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3
2025-08-31T09:28:55,997   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27
2025-08-31T09:28:55,999   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27
2025-08-31T09:28:56,001   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11
2025-08-31T09:28:56,003   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11
2025-08-31T09:28:56,005   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14
2025-08-31T09:28:56,007   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14
2025-08-31T09:28:56,009   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26
2025-08-31T09:28:56,011   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26
2025-08-31T09:28:56,013   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26
2025-08-31T09:28:56,015   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26
2025-08-31T09:28:56,017   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21
2025-08-31T09:28:56,019   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21
2025-08-31T09:28:56,021   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18
2025-08-31T09:28:56,022   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18
2025-08-31T09:28:56,024   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5
2025-08-31T09:28:56,026   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5
2025-08-31T09:28:56,028   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9
2025-08-31T09:28:56,030   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9
2025-08-31T09:28:56,032   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1
2025-08-31T09:28:56,033   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1
2025-08-31T09:28:56,036   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7
2025-08-31T09:28:56,037   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7
2025-08-31T09:28:56,040   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29
2025-08-31T09:28:56,041   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29
2025-08-31T09:28:56,043   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17
2025-08-31T09:28:56,045   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17
2025-08-31T09:28:56,047   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12
2025-08-31T09:28:56,049   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12
2025-08-31T09:28:56,051   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34
2025-08-31T09:28:56,053   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34
2025-08-31T09:28:56,055   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10
2025-08-31T09:28:56,057   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10
2025-08-31T09:28:56,060   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27
2025-08-31T09:28:56,061   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27
2025-08-31T09:28:56,064   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25
2025-08-31T09:28:56,065   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25
2025-08-31T09:28:56,068   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30
2025-08-31T09:28:56,070   copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30
2025-08-31T09:28:56,072   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2
2025-08-31T09:28:56,074   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2
2025-08-31T09:28:56,077   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:28:56,078   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:28:56,081   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2
2025-08-31T09:28:56,082   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2
2025-08-31T09:28:56,084   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip
2025-08-31T09:28:56,086   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip
2025-08-31T09:28:56,088   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8
2025-08-31T09:28:56,090   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8
2025-08-31T09:28:56,092   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb
2025-08-31T09:28:56,093   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb
2025-08-31T09:28:56,096   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36
2025-08-31T09:28:56,097   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36
2025-08-31T09:28:56,100   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen
2025-08-31T09:28:56,101   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen
2025-08-31T09:28:56,104   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35
2025-08-31T09:28:56,105   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35
2025-08-31T09:28:56,108   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene
2025-08-31T09:28:56,109   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene
2025-08-31T09:28:56,112   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl
2025-08-31T09:28:56,113   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl
2025-08-31T09:28:56,115   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:28:56,117   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:28:56,119   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3
2025-08-31T09:28:56,121   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3
2025-08-31T09:28:56,123   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be
2025-08-31T09:28:56,125   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be
2025-08-31T09:28:56,127   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:28:56,129   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:28:56,131   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen
2025-08-31T09:28:56,133   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen
2025-08-31T09:28:56,135   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36
2025-08-31T09:28:56,137   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36
2025-08-31T09:28:56,140   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:28:56,141   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:28:56,144   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2
2025-08-31T09:28:56,145   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2
2025-08-31T09:28:56,148   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4
2025-08-31T09:28:56,150   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4
2025-08-31T09:28:56,153   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2
2025-08-31T09:28:56,154   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2
2025-08-31T09:28:56,157   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1
2025-08-31T09:28:56,159   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1
2025-08-31T09:28:56,162   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne
2025-08-31T09:28:56,164   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne
2025-08-31T09:28:56,166   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4
2025-08-31T09:28:56,168   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4
2025-08-31T09:28:56,171   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6
2025-08-31T09:28:56,173   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6
2025-08-31T09:28:56,176   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL
2025-08-31T09:28:56,177   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL
2025-08-31T09:28:56,180   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage
2025-08-31T09:28:56,182   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage
2025-08-31T09:28:56,185   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2
2025-08-31T09:28:56,187   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2
2025-08-31T09:28:56,189   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35
2025-08-31T09:28:56,191   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35
2025-08-31T09:28:56,194   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6
2025-08-31T09:28:56,196   copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6
2025-08-31T09:28:56,198   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2
2025-08-31T09:28:56,201   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2
2025-08-31T09:28:56,204   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p
2025-08-31T09:28:56,205   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p
2025-08-31T09:28:56,208   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p
2025-08-31T09:28:56,210   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p
2025-08-31T09:28:56,213   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp
2025-08-31T09:28:56,215   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp
2025-08-31T09:28:56,217   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp
2025-08-31T09:28:56,219   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp
2025-08-31T09:28:56,222   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6
2025-08-31T09:28:56,224   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6
2025-08-31T09:28:56,226   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp
2025-08-31T09:28:56,228   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp
2025-08-31T09:28:56,231   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp
2025-08-31T09:28:56,232   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp
2025-08-31T09:28:56,235   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s
2025-08-31T09:28:56,237   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s
2025-08-31T09:28:56,240   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4
2025-08-31T09:28:56,241   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4
2025-08-31T09:28:56,244   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass
2025-08-31T09:28:56,246   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass
2025-08-31T09:28:56,249   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6
2025-08-31T09:28:56,250   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6
2025-08-31T09:28:56,253   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap
2025-08-31T09:28:56,255   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap
2025-08-31T09:28:56,257   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G
2025-08-31T09:28:56,259   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G
2025-08-31T09:28:56,262   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly
2025-08-31T09:28:56,264   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly
2025-08-31T09:28:56,266   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp
2025-08-31T09:28:56,268   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp
2025-08-31T09:28:56,271   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp
2025-08-31T09:28:56,272   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp
2025-08-31T09:28:56,275   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp
2025-08-31T09:28:56,277   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp
2025-08-31T09:28:56,280   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op
2025-08-31T09:28:56,281   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op
2025-08-31T09:28:56,284   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys
2025-08-31T09:28:56,285   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys
2025-08-31T09:28:56,288   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp
2025-08-31T09:28:56,289   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp
2025-08-31T09:28:56,291   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8
2025-08-31T09:28:56,293   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8
2025-08-31T09:28:56,295   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p
2025-08-31T09:28:56,296   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p
2025-08-31T09:28:56,299   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol
2025-08-31T09:28:56,300   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol
2025-08-31T09:28:56,303   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp
2025-08-31T09:28:56,304   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp
2025-08-31T09:28:56,307   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T
2025-08-31T09:28:56,308   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T
2025-08-31T09:28:56,311   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p
2025-08-31T09:28:56,312   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p
2025-08-31T09:28:56,315   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:28:56,316   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:28:56,319   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p
2025-08-31T09:28:56,320   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p
2025-08-31T09:28:56,323   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p
2025-08-31T09:28:56,324   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p
2025-08-31T09:28:56,326   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p
2025-08-31T09:28:56,328   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p
2025-08-31T09:28:56,330   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o
2025-08-31T09:28:56,331   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o
2025-08-31T09:28:56,334   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4
2025-08-31T09:28:56,335   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4
2025-08-31T09:28:56,338   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh
2025-08-31T09:28:56,339   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh
2025-08-31T09:28:56,341   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p
2025-08-31T09:28:56,343   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p
2025-08-31T09:28:56,345   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s
2025-08-31T09:28:56,346   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s
2025-08-31T09:28:56,349   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:28:56,350   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:28:56,353   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3
2025-08-31T09:28:56,354   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3
2025-08-31T09:28:56,357   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp
2025-08-31T09:28:56,359   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp
2025-08-31T09:28:56,361   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A
2025-08-31T09:28:56,363   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A
2025-08-31T09:28:56,365   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C
2025-08-31T09:28:56,367   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C
2025-08-31T09:28:56,369   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6
2025-08-31T09:28:56,371   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6
2025-08-31T09:28:56,373   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2
2025-08-31T09:28:56,374   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2
2025-08-31T09:28:56,377   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp
2025-08-31T09:28:56,378   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp
2025-08-31T09:28:56,380   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2
2025-08-31T09:28:56,382   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2
2025-08-31T09:28:56,384   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p
2025-08-31T09:28:56,386   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p
2025-08-31T09:28:56,388   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p
2025-08-31T09:28:56,389   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p
2025-08-31T09:28:56,392   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl
2025-08-31T09:28:56,393   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl
2025-08-31T09:28:56,395   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p
2025-08-31T09:28:56,397   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p
2025-08-31T09:28:56,399   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol
2025-08-31T09:28:56,400   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol
2025-08-31T09:28:56,403   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp
2025-08-31T09:28:56,404   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp
2025-08-31T09:28:56,406   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3
2025-08-31T09:28:56,408   copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3
2025-08-31T09:28:56,411   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:28:56,413   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:28:56,415   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:28:56,417   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:28:56,419   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:28:56,421   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:28:56,423   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:28:56,424   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:28:56,427   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:28:56,429   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:28:56,431   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:28:56,433   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:28:56,435   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:28:56,436   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:28:56,439   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2
2025-08-31T09:28:56,440   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2
2025-08-31T09:28:56,443   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:28:56,444   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:28:56,446   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:28:56,448   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:28:56,450   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:28:56,452   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:28:56,454   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:28:56,456   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:28:56,458   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:28:56,460   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:28:56,462   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:28:56,464   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:28:56,466   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:28:56,467   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:28:56,470   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:28:56,471   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:28:56,474   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:28:56,475   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:28:56,478   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:28:56,479   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:28:56,482   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:28:56,483   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:28:56,486   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:28:56,487   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:28:56,490   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:28:56,491   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:28:56,494   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:28:56,496   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:28:56,499   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:28:56,500   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:28:56,503   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:28:56,504   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:28:56,507   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:28:56,509   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:28:56,512   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:28:56,513   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:28:56,515   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:28:56,517   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:28:56,519   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:28:56,521   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:28:56,523   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:28:56,525   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:28:56,527   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:28:56,528   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:28:56,531   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:28:56,532   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:28:56,535   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:28:56,536   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:28:56,539   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:28:56,541   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:28:56,544   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2
2025-08-31T09:28:56,545   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2
2025-08-31T09:28:56,549   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:28:56,551   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:28:56,553   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:28:56,555   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:28:56,557   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:28:56,559   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:28:56,562   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:28:56,563   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:28:56,566   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:28:56,567   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:28:56,570   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:28:56,571   copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:28:56,574   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:28:56,576   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:28:56,579   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:28:56,580   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:28:56,583   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane
2025-08-31T09:28:56,584   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane
2025-08-31T09:28:56,587   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO
2025-08-31T09:28:56,588   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO
2025-08-31T09:28:56,591   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO
2025-08-31T09:28:56,592   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO
2025-08-31T09:28:56,595   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:28:56,596   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:28:56,599   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne
2025-08-31T09:28:56,600   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne
2025-08-31T09:28:56,603   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran
2025-08-31T09:28:56,604   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran
2025-08-31T09:28:56,607   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:28:56,608   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:28:56,611   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:28:56,612   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:28:56,615   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2
2025-08-31T09:28:56,616   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2
2025-08-31T09:28:56,619   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2
2025-08-31T09:28:56,620   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2
2025-08-31T09:28:56,623   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene
2025-08-31T09:28:56,624   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene
2025-08-31T09:28:56,627   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:28:56,628   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:28:56,631   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:28:56,632   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:28:56,635   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:28:56,636   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:28:56,639   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:28:56,640   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:28:56,642   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:28:56,644   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:28:56,646   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol
2025-08-31T09:28:56,647   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol
2025-08-31T09:28:56,650   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:28:56,651   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:28:56,654   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:28:56,655   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:28:56,658   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:28:56,659   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:28:56,662   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:28:56,663   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:28:56,665   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene
2025-08-31T09:28:56,667   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene
2025-08-31T09:28:56,670   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:28:56,671   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:28:56,674   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne
2025-08-31T09:28:56,675   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne
2025-08-31T09:28:56,678   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:28:56,679   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:28:56,682   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:28:56,683   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:28:56,686   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:28:56,687   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:28:56,690   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene
2025-08-31T09:28:56,691   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene
2025-08-31T09:28:56,694   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:28:56,695   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:28:56,698   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:28:56,699   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:28:56,702   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:28:56,703   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:28:56,706   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:28:56,708   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:28:56,710   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:28:56,712   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:28:56,714   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:28:56,716   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:28:56,719   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:28:56,720   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:28:56,723   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:28:56,724   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:28:56,727   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2
2025-08-31T09:28:56,728   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2
2025-08-31T09:28:56,731   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine
2025-08-31T09:28:56,732   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine
2025-08-31T09:28:56,735   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:28:56,736   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:28:56,739   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene
2025-08-31T09:28:56,741   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene
2025-08-31T09:28:56,743   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione
2025-08-31T09:28:56,745   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione
2025-08-31T09:28:56,747   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:28:56,749   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:28:56,751   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:28:56,753   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:28:56,755   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:28:56,757   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:28:56,759   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2
2025-08-31T09:28:56,761   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2
2025-08-31T09:28:56,763   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol
2025-08-31T09:28:56,764   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol
2025-08-31T09:28:56,767   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:28:56,768   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:28:56,771   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:28:56,772   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:28:56,775   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:28:56,776   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:28:56,779   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol
2025-08-31T09:28:56,780   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol
2025-08-31T09:28:56,783   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:28:56,784   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:28:56,787   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:28:56,788   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:28:56,791   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne
2025-08-31T09:28:56,792   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne
2025-08-31T09:28:56,794   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH
2025-08-31T09:28:56,796   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH
2025-08-31T09:28:56,799   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane
2025-08-31T09:28:56,800   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane
2025-08-31T09:28:56,803   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol
2025-08-31T09:28:56,804   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol
2025-08-31T09:28:56,807   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:28:56,808   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:28:56,811   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:28:56,812   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:28:56,815   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3
2025-08-31T09:28:56,816   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3
2025-08-31T09:28:56,819   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2
2025-08-31T09:28:56,821   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2
2025-08-31T09:28:56,823   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane
2025-08-31T09:28:56,825   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane
2025-08-31T09:28:56,827   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine
2025-08-31T09:28:56,829   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine
2025-08-31T09:28:56,831   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S
2025-08-31T09:28:56,833   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S
2025-08-31T09:28:56,835   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene
2025-08-31T09:28:56,837   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene
2025-08-31T09:28:56,839   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole
2025-08-31T09:28:56,840   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole
2025-08-31T09:28:56,843   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene
2025-08-31T09:28:56,844   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene
2025-08-31T09:28:56,846   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:28:56,848   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:28:56,850   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:28:56,852   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:28:56,854   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN
2025-08-31T09:28:56,856   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN
2025-08-31T09:28:56,858   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne
2025-08-31T09:28:56,859   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne
2025-08-31T09:28:56,862   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane
2025-08-31T09:28:56,863   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane
2025-08-31T09:28:56,866   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:28:56,867   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:28:56,870   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O
2025-08-31T09:28:56,871   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O
2025-08-31T09:28:56,874   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:28:56,875   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:28:56,878   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene
2025-08-31T09:28:56,880   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene
2025-08-31T09:28:56,882   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN
2025-08-31T09:28:56,883   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN
2025-08-31T09:28:56,886   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene
2025-08-31T09:28:56,887   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene
2025-08-31T09:28:56,890   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl
2025-08-31T09:28:56,891   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl
2025-08-31T09:28:56,894   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:28:56,895   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:28:56,898   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:28:56,900   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:28:56,902   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:28:56,904   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:28:56,906   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:28:56,908   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:28:56,910   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O
2025-08-31T09:28:56,912   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O
2025-08-31T09:28:56,914   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:28:56,916   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:28:56,918   creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran
2025-08-31T09:28:56,920   copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran
2025-08-31T09:28:56,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne
2025-08-31T09:28:56,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne
2025-08-31T09:28:56,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6
2025-08-31T09:28:56,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6
2025-08-31T09:28:56,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2
2025-08-31T09:28:56,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2
2025-08-31T09:28:56,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe
2025-08-31T09:28:56,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe
2025-08-31T09:28:56,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:28:56,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:28:56,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe
2025-08-31T09:28:56,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe
2025-08-31T09:28:56,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr
2025-08-31T09:28:56,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr
2025-08-31T09:28:56,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:28:56,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:28:56,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf
2025-08-31T09:28:56,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf
2025-08-31T09:28:56,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3
2025-08-31T09:28:56,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3
2025-08-31T09:28:56,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4
2025-08-31T09:28:56,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4
2025-08-31T09:28:56,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz
2025-08-31T09:28:56,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz
2025-08-31T09:28:56,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4
2025-08-31T09:28:56,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4
2025-08-31T09:28:56,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr
2025-08-31T09:28:56,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr
2025-08-31T09:28:56,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3
2025-08-31T09:28:56,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3
2025-08-31T09:28:56,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3
2025-08-31T09:28:56,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3
2025-08-31T09:28:56,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2
2025-08-31T09:28:56,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2
2025-08-31T09:28:56,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2
2025-08-31T09:28:56,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2
2025-08-31T09:28:56,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:28:56,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:28:56,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6
2025-08-31T09:28:56,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6
2025-08-31T09:28:57,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr
2025-08-31T09:28:57,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr
2025-08-31T09:28:57,004   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr
2025-08-31T09:28:57,005   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr
2025-08-31T09:28:57,008   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:28:57,009   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:28:57,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar
2025-08-31T09:28:57,013   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar
2025-08-31T09:28:57,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2
2025-08-31T09:28:57,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2
2025-08-31T09:28:57,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117
2025-08-31T09:28:57,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117
2025-08-31T09:28:57,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23
2025-08-31T09:28:57,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23
2025-08-31T09:28:57,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121
2025-08-31T09:28:57,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121
2025-08-31T09:28:57,031   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11
2025-08-31T09:28:57,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11
2025-08-31T09:28:57,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67
2025-08-31T09:28:57,036   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67
2025-08-31T09:28:57,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118
2025-08-31T09:28:57,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118
2025-08-31T09:28:57,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68
2025-08-31T09:28:57,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68
2025-08-31T09:28:57,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56
2025-08-31T09:28:57,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56
2025-08-31T09:28:57,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6
2025-08-31T09:28:57,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6
2025-08-31T09:28:57,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8
2025-08-31T09:28:57,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8
2025-08-31T09:28:57,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47
2025-08-31T09:28:57,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47
2025-08-31T09:28:57,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88
2025-08-31T09:28:57,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88
2025-08-31T09:28:57,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32
2025-08-31T09:28:57,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32
2025-08-31T09:28:57,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39
2025-08-31T09:28:57,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39
2025-08-31T09:28:57,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14
2025-08-31T09:28:57,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14
2025-08-31T09:28:57,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34
2025-08-31T09:28:57,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34
2025-08-31T09:28:57,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22
2025-08-31T09:28:57,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22
2025-08-31T09:28:57,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59
2025-08-31T09:28:57,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59
2025-08-31T09:28:57,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51
2025-08-31T09:28:57,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51
2025-08-31T09:28:57,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60
2025-08-31T09:28:57,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60
2025-08-31T09:28:57,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128
2025-08-31T09:28:57,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128
2025-08-31T09:28:57,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113
2025-08-31T09:28:57,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113
2025-08-31T09:28:57,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82
2025-08-31T09:28:57,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82
2025-08-31T09:28:57,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24
2025-08-31T09:28:57,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24
2025-08-31T09:28:57,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33
2025-08-31T09:28:57,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33
2025-08-31T09:28:57,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25
2025-08-31T09:28:57,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25
2025-08-31T09:28:57,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26
2025-08-31T09:28:57,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26
2025-08-31T09:28:57,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1
2025-08-31T09:28:57,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1
2025-08-31T09:28:57,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52
2025-08-31T09:28:57,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52
2025-08-31T09:28:57,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66
2025-08-31T09:28:57,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66
2025-08-31T09:28:57,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94
2025-08-31T09:28:57,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94
2025-08-31T09:28:57,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73
2025-08-31T09:28:57,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73
2025-08-31T09:28:57,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13
2025-08-31T09:28:57,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13
2025-08-31T09:28:57,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97
2025-08-31T09:28:57,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97
2025-08-31T09:28:57,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45
2025-08-31T09:28:57,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45
2025-08-31T09:28:57,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62
2025-08-31T09:28:57,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62
2025-08-31T09:28:57,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18
2025-08-31T09:28:57,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18
2025-08-31T09:28:57,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58
2025-08-31T09:28:57,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58
2025-08-31T09:28:57,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104
2025-08-31T09:28:57,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104
2025-08-31T09:28:57,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40
2025-08-31T09:28:57,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40
2025-08-31T09:28:57,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126
2025-08-31T09:28:57,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126
2025-08-31T09:28:57,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61
2025-08-31T09:28:57,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61
2025-08-31T09:28:57,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30
2025-08-31T09:28:57,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30
2025-08-31T09:28:57,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21
2025-08-31T09:28:57,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21
2025-08-31T09:28:57,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106
2025-08-31T09:28:57,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106
2025-08-31T09:28:57,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100
2025-08-31T09:28:57,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100
2025-08-31T09:28:57,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57
2025-08-31T09:28:57,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57
2025-08-31T09:28:57,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23
2025-08-31T09:28:57,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23
2025-08-31T09:28:57,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B
2025-08-31T09:28:57,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B
2025-08-31T09:28:57,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A
2025-08-31T09:28:57,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A
2025-08-31T09:28:57,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A
2025-08-31T09:28:57,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A
2025-08-31T09:28:57,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A
2025-08-31T09:28:57,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A
2025-08-31T09:28:57,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22
2025-08-31T09:28:57,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22
2025-08-31T09:28:57,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B
2025-08-31T09:28:57,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B
2025-08-31T09:28:57,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B
2025-08-31T09:28:57,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B
2025-08-31T09:28:57,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B
2025-08-31T09:28:57,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B
2025-08-31T09:28:57,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A
2025-08-31T09:28:57,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A
2025-08-31T09:28:57,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24
2025-08-31T09:28:57,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24
2025-08-31T09:28:57,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25
2025-08-31T09:28:57,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25
2025-08-31T09:28:57,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B
2025-08-31T09:28:57,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B
2025-08-31T09:28:57,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26
2025-08-31T09:28:57,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26
2025-08-31T09:28:57,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A
2025-08-31T09:28:57,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A
2025-08-31T09:28:57,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27
2025-08-31T09:28:57,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27
2025-08-31T09:28:57,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B
2025-08-31T09:28:57,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B
2025-08-31T09:28:57,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A
2025-08-31T09:28:57,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A
2025-08-31T09:28:57,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23
2025-08-31T09:28:57,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23
2025-08-31T09:28:57,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43
2025-08-31T09:28:57,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43
2025-08-31T09:28:57,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48
2025-08-31T09:28:57,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48
2025-08-31T09:28:57,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11
2025-08-31T09:28:57,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11
2025-08-31T09:28:57,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31
2025-08-31T09:28:57,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31
2025-08-31T09:28:57,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15
2025-08-31T09:28:57,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15
2025-08-31T09:28:57,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20
2025-08-31T09:28:57,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20
2025-08-31T09:28:57,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6
2025-08-31T09:28:57,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6
2025-08-31T09:28:57,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36
2025-08-31T09:28:57,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36
2025-08-31T09:28:57,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8
2025-08-31T09:28:57,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8
2025-08-31T09:28:57,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9
2025-08-31T09:28:57,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9
2025-08-31T09:28:57,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47
2025-08-31T09:28:57,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47
2025-08-31T09:28:57,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32
2025-08-31T09:28:57,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32
2025-08-31T09:28:57,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39
2025-08-31T09:28:57,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39
2025-08-31T09:28:57,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14
2025-08-31T09:28:57,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14
2025-08-31T09:28:57,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34
2025-08-31T09:28:57,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34
2025-08-31T09:28:57,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38
2025-08-31T09:28:57,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38
2025-08-31T09:28:57,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22
2025-08-31T09:28:57,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22
2025-08-31T09:28:57,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51
2025-08-31T09:28:57,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51
2025-08-31T09:28:57,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29
2025-08-31T09:28:57,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29
2025-08-31T09:28:57,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2
2025-08-31T09:28:57,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2
2025-08-31T09:28:57,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19
2025-08-31T09:28:57,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19
2025-08-31T09:28:57,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24
2025-08-31T09:28:57,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24
2025-08-31T09:28:57,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33
2025-08-31T09:28:57,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33
2025-08-31T09:28:57,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25
2025-08-31T09:28:57,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25
2025-08-31T09:28:57,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28
2025-08-31T09:28:57,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28
2025-08-31T09:28:57,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35
2025-08-31T09:28:57,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35
2025-08-31T09:28:57,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50
2025-08-31T09:28:57,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50
2025-08-31T09:28:57,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16
2025-08-31T09:28:57,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16
2025-08-31T09:28:57,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26
2025-08-31T09:28:57,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26
2025-08-31T09:28:57,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1
2025-08-31T09:28:57,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1
2025-08-31T09:28:57,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52
2025-08-31T09:28:57,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52
2025-08-31T09:28:57,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10
2025-08-31T09:28:57,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10
2025-08-31T09:28:57,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5
2025-08-31T09:28:57,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5
2025-08-31T09:28:57,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41
2025-08-31T09:28:57,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41
2025-08-31T09:28:57,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37
2025-08-31T09:28:57,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37
2025-08-31T09:28:57,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49
2025-08-31T09:28:57,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49
2025-08-31T09:28:57,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12
2025-08-31T09:28:57,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12
2025-08-31T09:28:57,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13
2025-08-31T09:28:57,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13
2025-08-31T09:28:57,417   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45
2025-08-31T09:28:57,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45
2025-08-31T09:28:57,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18
2025-08-31T09:28:57,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18
2025-08-31T09:28:57,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7
2025-08-31T09:28:57,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7
2025-08-31T09:28:57,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40
2025-08-31T09:28:57,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40
2025-08-31T09:28:57,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30
2025-08-31T09:28:57,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30
2025-08-31T09:28:57,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21
2025-08-31T09:28:57,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21
2025-08-31T09:28:57,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27
2025-08-31T09:28:57,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27
2025-08-31T09:28:57,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3
2025-08-31T09:28:57,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3
2025-08-31T09:28:57,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44
2025-08-31T09:28:57,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44
2025-08-31T09:28:57,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42
2025-08-31T09:28:57,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42
2025-08-31T09:28:57,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46
2025-08-31T09:28:57,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46
2025-08-31T09:28:57,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4
2025-08-31T09:28:57,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4
2025-08-31T09:28:57,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17
2025-08-31T09:28:57,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17
2025-08-31T09:28:57,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4
2025-08-31T09:28:57,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4
2025-08-31T09:28:57,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:28:57,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:28:57,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm
2025-08-31T09:28:57,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm
2025-08-31T09:28:57,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:28:57,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:28:57,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:28:57,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:28:57,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:28:57,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:28:57,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:28:57,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:28:57,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:28:57,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:28:57,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:28:57,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:28:57,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:28:57,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:28:57,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es
2025-08-31T09:28:57,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es
2025-08-31T09:28:57,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:28:57,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:28:57,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3
2025-08-31T09:28:57,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3
2025-08-31T09:28:57,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b
2025-08-31T09:28:57,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b
2025-08-31T09:28:57,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:28:57,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:28:57,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2
2025-08-31T09:28:57,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2
2025-08-31T09:28:57,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20
2025-08-31T09:28:57,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20
2025-08-31T09:28:57,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:28:57,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:28:57,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:28:57,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:28:57,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5
2025-08-31T09:28:57,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5
2025-08-31T09:28:57,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:28:57,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:28:57,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:28:57,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:28:57,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:28:57,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:28:57,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op
2025-08-31T09:28:57,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op
2025-08-31T09:28:57,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c
2025-08-31T09:28:57,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c
2025-08-31T09:28:57,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:28:57,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:28:57,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:28:57,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:28:57,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O
2025-08-31T09:28:57,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O
2025-08-31T09:28:57,573   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:28:57,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:28:57,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6
2025-08-31T09:28:57,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6
2025-08-31T09:28:57,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:28:57,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:28:57,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi
2025-08-31T09:28:57,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi
2025-08-31T09:28:57,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:28:57,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:28:57,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:28:57,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:28:57,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:28:57,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:28:57,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:28:57,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:28:57,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:28:57,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:28:57,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:28:57,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:28:57,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:28:57,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:28:57,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2
2025-08-31T09:28:57,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2
2025-08-31T09:28:57,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:28:57,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:28:57,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:28:57,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:28:57,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:28:57,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:28:57,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:28:57,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:28:57,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:28:57,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:28:57,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr
2025-08-31T09:28:57,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr
2025-08-31T09:28:57,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:28:57,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:28:57,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:28:57,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:28:57,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:28:57,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:28:57,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:28:57,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:28:57,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:28:57,658   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:28:57,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:28:57,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:28:57,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o
2025-08-31T09:28:57,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o
2025-08-31T09:28:57,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:28:57,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:28:57,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:28:57,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:28:57,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:28:57,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:28:57,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:28:57,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:28:57,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s
2025-08-31T09:28:57,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s
2025-08-31T09:28:57,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:28:57,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:28:57,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:28:57,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:28:57,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:28:57,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:28:57,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:28:57,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:28:57,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:28:57,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:28:57,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:28:57,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:28:57,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3
2025-08-31T09:28:57,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3
2025-08-31T09:28:57,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:28:57,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:28:57,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl
2025-08-31T09:28:57,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl
2025-08-31T09:28:57,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3
2025-08-31T09:28:57,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3
2025-08-31T09:28:57,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p
2025-08-31T09:28:57,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p
2025-08-31T09:28:57,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d
2025-08-31T09:28:57,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d
2025-08-31T09:28:57,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a
2025-08-31T09:28:57,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a
2025-08-31T09:28:57,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a
2025-08-31T09:28:57,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a
2025-08-31T09:28:57,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m
2025-08-31T09:28:57,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m
2025-08-31T09:28:57,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p
2025-08-31T09:28:57,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p
2025-08-31T09:28:57,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p
2025-08-31T09:28:57,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p
2025-08-31T09:28:57,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a
2025-08-31T09:28:57,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a
2025-08-31T09:28:57,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f
2025-08-31T09:28:57,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f
2025-08-31T09:28:57,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p
2025-08-31T09:28:57,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p
2025-08-31T09:28:57,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a
2025-08-31T09:28:57,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a
2025-08-31T09:28:57,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a
2025-08-31T09:28:57,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a
2025-08-31T09:28:57,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d
2025-08-31T09:28:57,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d
2025-08-31T09:28:57,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b
2025-08-31T09:28:57,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b
2025-08-31T09:28:57,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g
2025-08-31T09:28:57,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g
2025-08-31T09:28:57,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b
2025-08-31T09:28:57,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b
2025-08-31T09:28:57,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa
2025-08-31T09:28:57,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa
2025-08-31T09:28:57,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e
2025-08-31T09:28:57,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e
2025-08-31T09:28:57,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b
2025-08-31T09:28:57,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b
2025-08-31T09:28:57,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b
2025-08-31T09:28:57,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b
2025-08-31T09:28:57,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a
2025-08-31T09:28:57,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a
2025-08-31T09:28:57,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z
2025-08-31T09:28:57,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z
2025-08-31T09:28:57,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c
2025-08-31T09:28:57,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c
2025-08-31T09:28:57,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h
2025-08-31T09:28:57,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h
2025-08-31T09:28:57,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:28:57,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:28:57,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:28:57,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:28:57,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:28:57,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:28:57,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:28:57,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:28:57,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:28:57,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:28:57,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:28:57,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:28:57,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:28:57,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:28:57,845   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:28:57,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:28:57,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N
2025-08-31T09:28:57,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N
2025-08-31T09:28:57,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:28:57,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:28:57,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:28:57,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:28:57,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O
2025-08-31T09:28:57,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O
2025-08-31T09:28:57,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:28:57,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:28:57,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:28:57,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:28:57,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N
2025-08-31T09:28:57,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N
2025-08-31T09:28:57,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:28:57,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:28:57,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O
2025-08-31T09:28:57,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O
2025-08-31T09:28:57,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N
2025-08-31T09:28:57,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N
2025-08-31T09:28:57,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:28:57,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:28:57,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:28:57,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:28:57,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N
2025-08-31T09:28:57,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N
2025-08-31T09:28:57,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:28:57,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:28:57,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL
2025-08-31T09:28:57,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL
2025-08-31T09:28:57,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:28:57,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:28:57,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:28:57,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:28:57,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:28:57,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:28:57,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O
2025-08-31T09:28:57,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O
2025-08-31T09:28:57,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:28:57,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:28:57,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:28:57,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:28:57,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O
2025-08-31T09:28:57,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O
2025-08-31T09:28:57,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL
2025-08-31T09:28:57,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL
2025-08-31T09:28:57,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:28:57,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:28:57,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL
2025-08-31T09:28:57,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL
2025-08-31T09:28:57,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL
2025-08-31T09:28:57,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL
2025-08-31T09:28:57,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:28:57,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:28:57,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:28:57,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:28:57,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS
2025-08-31T09:28:57,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS
2025-08-31T09:28:57,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3
2025-08-31T09:28:57,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3
2025-08-31T09:28:57,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:28:57,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:28:57,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:28:57,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:28:57,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:28:57,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:28:57,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:28:57,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:28:57,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS
2025-08-31T09:28:57,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS
2025-08-31T09:28:57,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:28:57,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:28:57,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:28:57,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:28:57,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:28:57,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:28:57,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:28:57,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:28:58,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:28:58,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:28:58,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:28:58,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:28:58,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene
2025-08-31T09:28:58,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene
2025-08-31T09:28:58,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:28:58,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:28:58,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:28:58,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:28:58,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether
2025-08-31T09:28:58,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether
2025-08-31T09:28:58,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:28:58,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:28:58,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3
2025-08-31T09:28:58,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3
2025-08-31T09:28:58,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS
2025-08-31T09:28:58,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS
2025-08-31T09:28:58,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:28:58,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:28:58,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:28:58,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:28:58,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:28:58,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:28:58,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph
2025-08-31T09:28:58,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph
2025-08-31T09:28:58,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:28:58,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:28:58,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene
2025-08-31T09:28:58,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene
2025-08-31T09:28:58,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:28:58,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:28:58,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS
2025-08-31T09:28:58,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS
2025-08-31T09:28:58,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:28:58,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:28:58,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:28:58,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:28:58,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S
2025-08-31T09:28:58,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S
2025-08-31T09:28:58,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:28:58,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:28:58,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3
2025-08-31T09:28:58,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3
2025-08-31T09:28:58,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3
2025-08-31T09:28:58,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3
2025-08-31T09:28:58,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:28:58,091   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
2025-08-31T09:28:58,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:28:58,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:28:58,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3
2025-08-31T09:28:58,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3
2025-08-31T09:28:58,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:28:58,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:28:58,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:28:58,106   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
2025-08-31T09:28:58,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:28:58,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:28:58,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether
2025-08-31T09:28:58,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether
2025-08-31T09:28:58,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:28:58,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:28:58,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:28:58,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:28:58,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O
2025-08-31T09:28:58,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O
2025-08-31T09:28:58,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:28:58,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:28:58,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:28:58,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:28:58,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2
2025-08-31T09:28:58,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2
2025-08-31T09:28:58,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:28:58,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:28:58,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2
2025-08-31T09:28:58,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2
2025-08-31T09:28:58,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4
2025-08-31T09:28:58,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4
2025-08-31T09:28:58,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6
2025-08-31T09:28:58,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6
2025-08-31T09:28:58,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3
2025-08-31T09:28:58,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3
2025-08-31T09:28:58,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2
2025-08-31T09:28:58,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2
2025-08-31T09:28:58,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e
2025-08-31T09:28:58,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e
2025-08-31T09:28:58,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1
2025-08-31T09:28:58,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1
2025-08-31T09:28:58,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3
2025-08-31T09:28:58,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3
2025-08-31T09:28:58,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1
2025-08-31T09:28:58,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1
2025-08-31T09:28:58,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1
2025-08-31T09:28:58,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1
2025-08-31T09:28:58,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e
2025-08-31T09:28:58,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e
2025-08-31T09:28:58,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e
2025-08-31T09:28:58,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e
2025-08-31T09:28:58,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3
2025-08-31T09:28:58,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3
2025-08-31T09:28:58,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr
2025-08-31T09:28:58,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr
2025-08-31T09:28:58,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1
2025-08-31T09:28:58,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1
2025-08-31T09:28:58,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e
2025-08-31T09:28:58,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e
2025-08-31T09:28:58,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2
2025-08-31T09:28:58,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2
2025-08-31T09:28:58,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p
2025-08-31T09:28:58,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p
2025-08-31T09:28:58,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1
2025-08-31T09:28:58,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1
2025-08-31T09:28:58,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e
2025-08-31T09:28:58,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e
2025-08-31T09:28:58,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1
2025-08-31T09:28:58,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1
2025-08-31T09:28:58,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2
2025-08-31T09:28:58,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2
2025-08-31T09:28:58,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1
2025-08-31T09:28:58,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1
2025-08-31T09:28:58,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e
2025-08-31T09:28:58,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e
2025-08-31T09:28:58,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1
2025-08-31T09:28:58,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1
2025-08-31T09:28:58,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e
2025-08-31T09:28:58,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e
2025-08-31T09:28:58,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me
2025-08-31T09:28:58,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me
2025-08-31T09:28:58,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3
2025-08-31T09:28:58,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3
2025-08-31T09:28:58,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2
2025-08-31T09:28:58,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2
2025-08-31T09:28:58,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p
2025-08-31T09:28:58,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p
2025-08-31T09:28:58,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5
2025-08-31T09:28:58,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5
2025-08-31T09:28:58,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e
2025-08-31T09:28:58,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e
2025-08-31T09:28:58,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene
2025-08-31T09:28:58,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene
2025-08-31T09:28:58,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e
2025-08-31T09:28:58,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e
2025-08-31T09:28:58,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1
2025-08-31T09:28:58,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1
2025-08-31T09:28:58,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e
2025-08-31T09:28:58,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e
2025-08-31T09:28:58,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int
2025-08-31T09:28:58,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int
2025-08-31T09:28:58,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2
2025-08-31T09:28:58,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2
2025-08-31T09:28:58,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3
2025-08-31T09:28:58,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3
2025-08-31T09:28:58,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2
2025-08-31T09:28:58,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2
2025-08-31T09:28:58,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3
2025-08-31T09:28:58,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3
2025-08-31T09:28:58,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29
2025-08-31T09:28:58,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29
2025-08-31T09:28:58,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28
2025-08-31T09:28:58,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28
2025-08-31T09:28:58,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20
2025-08-31T09:28:58,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20
2025-08-31T09:28:58,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9
2025-08-31T09:28:58,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9
2025-08-31T09:28:58,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33
2025-08-31T09:28:58,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33
2025-08-31T09:28:58,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24
2025-08-31T09:28:58,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24
2025-08-31T09:28:58,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11
2025-08-31T09:28:58,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11
2025-08-31T09:28:58,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41
2025-08-31T09:28:58,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41
2025-08-31T09:28:58,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15
2025-08-31T09:28:58,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15
2025-08-31T09:28:58,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16
2025-08-31T09:28:58,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16
2025-08-31T09:28:58,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38
2025-08-31T09:28:58,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38
2025-08-31T09:28:58,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36
2025-08-31T09:28:58,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36
2025-08-31T09:28:58,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19
2025-08-31T09:28:58,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19
2025-08-31T09:28:58,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32
2025-08-31T09:28:58,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32
2025-08-31T09:28:58,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8
2025-08-31T09:28:58,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8
2025-08-31T09:28:58,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40
2025-08-31T09:28:58,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40
2025-08-31T09:28:58,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34
2025-08-31T09:28:58,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34
2025-08-31T09:28:58,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7
2025-08-31T09:28:58,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7
2025-08-31T09:28:58,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24
2025-08-31T09:28:58,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24
2025-08-31T09:28:58,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39
2025-08-31T09:28:58,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39
2025-08-31T09:28:58,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17
2025-08-31T09:28:58,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17
2025-08-31T09:28:58,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12
2025-08-31T09:28:58,374   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12
2025-08-31T09:28:58,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35
2025-08-31T09:28:58,378   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35
2025-08-31T09:28:58,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21
2025-08-31T09:28:58,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21
2025-08-31T09:28:58,384   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44
2025-08-31T09:28:58,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44
2025-08-31T09:28:58,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25
2025-08-31T09:28:58,390   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25
2025-08-31T09:28:58,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1
2025-08-31T09:28:58,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1
2025-08-31T09:28:58,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23
2025-08-31T09:28:58,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23
2025-08-31T09:28:58,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37
2025-08-31T09:28:58,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37
2025-08-31T09:28:58,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13
2025-08-31T09:28:58,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13
2025-08-31T09:28:58,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44
2025-08-31T09:28:58,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44
2025-08-31T09:28:58,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36
2025-08-31T09:28:58,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36
2025-08-31T09:28:58,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4
2025-08-31T09:28:58,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4
2025-08-31T09:28:58,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5
2025-08-31T09:28:58,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5
2025-08-31T09:28:58,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13
2025-08-31T09:28:58,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13
2025-08-31T09:28:58,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33
2025-08-31T09:28:58,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33
2025-08-31T09:28:58,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39
2025-08-31T09:28:58,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39
2025-08-31T09:28:58,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15
2025-08-31T09:28:58,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15
2025-08-31T09:28:58,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31
2025-08-31T09:28:58,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31
2025-08-31T09:28:58,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3
2025-08-31T09:28:58,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3
2025-08-31T09:28:58,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31
2025-08-31T09:28:58,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31
2025-08-31T09:28:58,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42
2025-08-31T09:28:58,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42
2025-08-31T09:28:58,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22
2025-08-31T09:28:58,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22
2025-08-31T09:28:58,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30
2025-08-31T09:28:58,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30
2025-08-31T09:28:58,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43
2025-08-31T09:28:58,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43
2025-08-31T09:28:58,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6
2025-08-31T09:28:58,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6
2025-08-31T09:28:58,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38
2025-08-31T09:28:58,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38
2025-08-31T09:28:58,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23
2025-08-31T09:28:58,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23
2025-08-31T09:28:58,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10
2025-08-31T09:28:58,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10
2025-08-31T09:28:58,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6
2025-08-31T09:28:58,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6
2025-08-31T09:28:58,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4
2025-08-31T09:28:58,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4
2025-08-31T09:28:58,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8
2025-08-31T09:28:58,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8
2025-08-31T09:28:58,490   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16
2025-08-31T09:28:58,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16
2025-08-31T09:28:58,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28
2025-08-31T09:28:58,495   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28
2025-08-31T09:28:58,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18
2025-08-31T09:28:58,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18
2025-08-31T09:28:58,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19
2025-08-31T09:28:58,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19
2025-08-31T09:28:58,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43
2025-08-31T09:28:58,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43
2025-08-31T09:28:58,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2
2025-08-31T09:28:58,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2
2025-08-31T09:28:58,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32
2025-08-31T09:28:58,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32
2025-08-31T09:28:58,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20
2025-08-31T09:28:58,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20
2025-08-31T09:28:58,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3
2025-08-31T09:28:58,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3
2025-08-31T09:28:58,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27
2025-08-31T09:28:58,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27
2025-08-31T09:28:58,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40
2025-08-31T09:28:58,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40
2025-08-31T09:28:58,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11
2025-08-31T09:28:58,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11
2025-08-31T09:28:58,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35
2025-08-31T09:28:58,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35
2025-08-31T09:28:58,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26
2025-08-31T09:28:58,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26
2025-08-31T09:28:58,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26
2025-08-31T09:28:58,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26
2025-08-31T09:28:58,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21
2025-08-31T09:28:58,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21
2025-08-31T09:28:58,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42
2025-08-31T09:28:58,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42
2025-08-31T09:28:58,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18
2025-08-31T09:28:58,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18
2025-08-31T09:28:58,555   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41
2025-08-31T09:28:58,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41
2025-08-31T09:28:58,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5
2025-08-31T09:28:58,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5
2025-08-31T09:28:58,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37
2025-08-31T09:28:58,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37
2025-08-31T09:28:58,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9
2025-08-31T09:28:58,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9
2025-08-31T09:28:58,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1
2025-08-31T09:28:58,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1
2025-08-31T09:28:58,573   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45
2025-08-31T09:28:58,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45
2025-08-31T09:28:58,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7
2025-08-31T09:28:58,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7
2025-08-31T09:28:58,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29
2025-08-31T09:28:58,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29
2025-08-31T09:28:58,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17
2025-08-31T09:28:58,586   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17
2025-08-31T09:28:58,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2
2025-08-31T09:28:58,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2
2025-08-31T09:28:58,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12
2025-08-31T09:28:58,593   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12
2025-08-31T09:28:58,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34
2025-08-31T09:28:58,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34
2025-08-31T09:28:58,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10
2025-08-31T09:28:58,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10
2025-08-31T09:28:58,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27
2025-08-31T09:28:58,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27
2025-08-31T09:28:58,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45
2025-08-31T09:28:58,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45
2025-08-31T09:28:58,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22
2025-08-31T09:28:58,611   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22
2025-08-31T09:28:58,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25
2025-08-31T09:28:58,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25
2025-08-31T09:28:58,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30
2025-08-31T09:28:58,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30
2025-08-31T09:28:58,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:28:58,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:28:58,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:28:58,626   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
2025-08-31T09:28:58,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:28:58,630   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
2025-08-31T09:28:58,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6
2025-08-31T09:28:58,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6
2025-08-31T09:28:58,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5
2025-08-31T09:28:58,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5
2025-08-31T09:28:58,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2
2025-08-31T09:28:58,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2
2025-08-31T09:28:58,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:28:58,644   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
2025-08-31T09:28:58,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:28:58,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:28:58,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:28:58,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:28:58,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:28:58,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:28:58,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4
2025-08-31T09:28:58,658   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4
2025-08-31T09:28:58,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6
2025-08-31T09:28:58,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6
2025-08-31T09:28:58,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts
2025-08-31T09:28:58,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts
2025-08-31T09:28:58,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:28:58,669   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
2025-08-31T09:28:58,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:28:58,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:28:58,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5
2025-08-31T09:28:58,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5
2025-08-31T09:28:58,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts
2025-08-31T09:28:58,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts
2025-08-31T09:28:58,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:28:58,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:28:58,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:28:58,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:28:58,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9
2025-08-31T09:28:58,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9
2025-08-31T09:28:58,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts
2025-08-31T09:28:58,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts
2025-08-31T09:28:58,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts
2025-08-31T09:28:58,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts
2025-08-31T09:28:58,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8
2025-08-31T09:28:58,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8
2025-08-31T09:28:58,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:28:58,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:28:58,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts
2025-08-31T09:28:58,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts
2025-08-31T09:28:58,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r
2025-08-31T09:28:58,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r
2025-08-31T09:28:58,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:28:58,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:28:58,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:28:58,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:28:58,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r
2025-08-31T09:28:58,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r
2025-08-31T09:28:58,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3
2025-08-31T09:28:58,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3
2025-08-31T09:28:58,729   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts
2025-08-31T09:28:58,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts
2025-08-31T09:28:58,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts
2025-08-31T09:28:58,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts
2025-08-31T09:28:58,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts
2025-08-31T09:28:58,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts
2025-08-31T09:28:58,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:28:58,742   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
2025-08-31T09:28:58,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r
2025-08-31T09:28:58,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r
2025-08-31T09:28:58,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10
2025-08-31T09:28:58,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10
2025-08-31T09:28:58,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:28:58,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:28:58,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r
2025-08-31T09:28:58,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r
2025-08-31T09:28:58,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r
2025-08-31T09:28:58,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r
2025-08-31T09:28:58,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:28:58,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:28:58,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:28:58,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:28:58,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r
2025-08-31T09:28:58,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r
2025-08-31T09:28:58,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r
2025-08-31T09:28:58,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r
2025-08-31T09:28:58,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4
2025-08-31T09:28:58,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4
2025-08-31T09:28:58,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r
2025-08-31T09:28:58,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r
2025-08-31T09:28:58,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1
2025-08-31T09:28:58,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1
2025-08-31T09:28:58,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7
2025-08-31T09:28:58,788   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7
2025-08-31T09:28:58,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:28:58,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:28:58,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2
2025-08-31T09:28:58,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2
2025-08-31T09:28:58,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11
2025-08-31T09:28:58,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11
2025-08-31T09:28:58,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:28:58,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:28:58,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:28:58,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:28:58,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:28:58,810   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
2025-08-31T09:28:58,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9
2025-08-31T09:28:58,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9
2025-08-31T09:28:58,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1
2025-08-31T09:28:58,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1
2025-08-31T09:28:58,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts
2025-08-31T09:28:58,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts
2025-08-31T09:28:58,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:28:58,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:28:58,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7
2025-08-31T09:28:58,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7
2025-08-31T09:28:58,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:28:58,832   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
2025-08-31T09:28:58,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3
2025-08-31T09:28:58,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3
2025-08-31T09:28:58,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8
2025-08-31T09:28:58,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8
2025-08-31T09:28:58,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:28:58,844   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
2025-08-31T09:28:58,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:28:58,848   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
2025-08-31T09:28:58,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:28:58,852   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
2025-08-31T09:28:58,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:28:58,856   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
2025-08-31T09:28:58,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:28:58,859   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
2025-08-31T09:28:58,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h
2025-08-31T09:28:58,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h
2025-08-31T09:28:58,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:28:58,867   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
2025-08-31T09:28:58,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:28:58,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:28:58,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:28:58,874   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
2025-08-31T09:28:58,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:28:58,877   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
2025-08-31T09:28:58,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:28:58,881   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
2025-08-31T09:28:58,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o
2025-08-31T09:28:58,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o
2025-08-31T09:28:58,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:28:58,889   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
2025-08-31T09:28:58,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:28:58,892   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
2025-08-31T09:28:58,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:28:58,896   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
2025-08-31T09:28:58,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:28:58,900   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
2025-08-31T09:28:58,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:28:58,904   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
2025-08-31T09:28:58,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+
2025-08-31T09:28:58,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+
2025-08-31T09:28:58,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:28:58,911   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
2025-08-31T09:28:58,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:28:58,915   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
2025-08-31T09:28:58,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:28:58,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:28:58,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3
2025-08-31T09:28:58,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3
2025-08-31T09:28:58,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he
2025-08-31T09:28:58,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he
2025-08-31T09:28:58,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f
2025-08-31T09:28:58,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f
2025-08-31T09:28:58,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2
2025-08-31T09:28:58,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2
2025-08-31T09:28:58,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l
2025-08-31T09:28:58,939   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l
2025-08-31T09:28:58,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer
2025-08-31T09:28:58,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer
2025-08-31T09:28:58,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant
2025-08-31T09:28:58,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant
2025-08-31T09:28:58,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene
2025-08-31T09:28:58,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene
2025-08-31T09:28:58,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1
2025-08-31T09:28:58,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1
2025-08-31T09:28:58,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22
2025-08-31T09:28:58,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22
2025-08-31T09:28:58,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l
2025-08-31T09:28:58,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l
2025-08-31T09:28:58,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1
2025-08-31T09:28:58,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1
2025-08-31T09:28:58,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2
2025-08-31T09:28:58,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2
2025-08-31T09:28:58,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f
2025-08-31T09:28:58,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f
2025-08-31T09:28:58,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2
2025-08-31T09:28:58,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2
2025-08-31T09:28:58,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:28:58,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:28:58,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:28:58,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:28:58,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:28:58,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:28:58,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:28:58,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:28:58,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:28:58,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:28:58,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:28:58,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:28:59,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:28:59,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:28:59,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:28:59,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:28:59,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:28:59,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:28:59,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:28:59,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:28:59,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:28:59,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:28:59,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:28:59,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:28:59,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:28:59,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:28:59,027   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:28:59,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:28:59,031   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:28:59,032   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:28:59,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:28:59,036   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:28:59,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:28:59,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:28:59,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:28:59,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:28:59,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:28:59,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:28:59,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:28:59,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:28:59,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:28:59,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:28:59,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:28:59,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:28:59,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:28:59,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:28:59,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:28:59,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:28:59,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:28:59,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:28:59,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:28:59,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:28:59,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:28:59,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:28:59,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:28:59,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:28:59,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:28:59,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:28:59,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:28:59,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:28:59,091   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:28:59,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:28:59,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:28:59,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:28:59,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:28:59,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:28:59,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:28:59,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:28:59,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:28:59,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:28:59,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:28:59,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:28:59,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:28:59,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:28:59,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:28:59,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:28:59,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:28:59,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:28:59,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:28:59,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:28:59,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:28:59,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:28:59,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:28:59,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:28:59,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:28:59,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:28:59,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:28:59,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:28:59,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:28:59,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:28:59,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:28:59,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:28:59,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:28:59,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:28:59,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:28:59,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:28:59,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:28:59,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:28:59,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:28:59,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:28:59,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:28:59,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:28:59,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:28:59,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:28:59,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:28:59,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:28:59,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:28:59,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:28:59,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:28:59,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:28:59,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:28:59,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:28:59,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:28:59,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:28:59,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:28:59,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:28:59,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:28:59,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:28:59,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:28:59,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:28:59,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:28:59,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:28:59,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:28:59,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:28:59,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:28:59,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:28:59,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:28:59,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:28:59,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:28:59,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:28:59,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li
2025-08-31T09:28:59,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li
2025-08-31T09:28:59,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio
2025-08-31T09:28:59,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio
2025-08-31T09:28:59,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h
2025-08-31T09:28:59,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h
2025-08-31T09:28:59,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif
2025-08-31T09:28:59,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif
2025-08-31T09:28:59,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s
2025-08-31T09:28:59,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s
2025-08-31T09:28:59,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na
2025-08-31T09:28:59,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na
2025-08-31T09:28:59,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo
2025-08-31T09:28:59,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo
2025-08-31T09:28:59,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg
2025-08-31T09:28:59,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg
2025-08-31T09:28:59,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k
2025-08-31T09:28:59,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k
2025-08-31T09:28:59,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o
2025-08-31T09:28:59,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o
2025-08-31T09:28:59,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf
2025-08-31T09:28:59,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf
2025-08-31T09:28:59,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be
2025-08-31T09:28:59,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be
2025-08-31T09:28:59,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao
2025-08-31T09:28:59,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao
2025-08-31T09:28:59,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:28:59,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:28:59,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f
2025-08-31T09:28:59,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f
2025-08-31T09:28:59,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf
2025-08-31T09:28:59,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf
2025-08-31T09:28:59,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:28:59,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:28:59,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao
2025-08-31T09:28:59,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao
2025-08-31T09:28:59,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca
2025-08-31T09:28:59,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca
2025-08-31T09:28:59,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef
2025-08-31T09:28:59,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef
2025-08-31T09:28:59,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg
2025-08-31T09:28:59,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg
2025-08-31T09:28:59,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:28:59,304   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+
2025-08-31T09:28:59,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:28:59,308   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-
2025-08-31T09:28:59,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt
2025-08-31T09:28:59,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt
2025-08-31T09:28:59,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX
2025-08-31T09:28:59,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX
2025-08-31T09:28:59,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG
2025-08-31T09:28:59,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG
2025-08-31T09:28:59,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:28:59,323   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-
2025-08-31T09:28:59,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt
2025-08-31T09:28:59,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt
2025-08-31T09:28:59,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:28:59,331   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-
2025-08-31T09:28:59,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt
2025-08-31T09:28:59,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt
2025-08-31T09:28:59,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:28:59,339   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-
2025-08-31T09:28:59,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG
2025-08-31T09:28:59,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG
2025-08-31T09:28:59,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T
2025-08-31T09:28:59,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T
2025-08-31T09:28:59,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT
2025-08-31T09:28:59,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT
2025-08-31T09:28:59,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:28:59,354   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+
2025-08-31T09:28:59,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg
2025-08-31T09:28:59,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg
2025-08-31T09:28:59,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G
2025-08-31T09:28:59,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G
2025-08-31T09:28:59,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg
2025-08-31T09:28:59,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg
2025-08-31T09:28:59,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23
2025-08-31T09:28:59,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23
2025-08-31T09:28:59,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11
2025-08-31T09:28:59,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11
2025-08-31T09:28:59,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b
2025-08-31T09:28:59,378   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b
2025-08-31T09:28:59,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15
2025-08-31T09:28:59,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15
2025-08-31T09:28:59,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a
2025-08-31T09:28:59,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a
2025-08-31T09:28:59,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a
2025-08-31T09:28:59,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a
2025-08-31T09:28:59,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20
2025-08-31T09:28:59,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20
2025-08-31T09:28:59,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6
2025-08-31T09:28:59,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6
2025-08-31T09:28:59,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b
2025-08-31T09:28:59,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b
2025-08-31T09:28:59,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b
2025-08-31T09:28:59,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b
2025-08-31T09:28:59,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8
2025-08-31T09:28:59,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8
2025-08-31T09:28:59,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9
2025-08-31T09:28:59,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9
2025-08-31T09:28:59,417   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b
2025-08-31T09:28:59,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b
2025-08-31T09:28:59,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a
2025-08-31T09:28:59,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a
2025-08-31T09:28:59,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a
2025-08-31T09:28:59,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a
2025-08-31T09:28:59,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a
2025-08-31T09:28:59,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a
2025-08-31T09:28:59,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14
2025-08-31T09:28:59,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14
2025-08-31T09:28:59,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b
2025-08-31T09:28:59,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b
2025-08-31T09:28:59,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22
2025-08-31T09:28:59,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22
2025-08-31T09:28:59,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b
2025-08-31T09:28:59,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b
2025-08-31T09:28:59,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b
2025-08-31T09:28:59,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b
2025-08-31T09:28:59,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a
2025-08-31T09:28:59,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a
2025-08-31T09:28:59,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a
2025-08-31T09:28:59,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a
2025-08-31T09:28:59,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a
2025-08-31T09:28:59,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a
2025-08-31T09:28:59,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b
2025-08-31T09:28:59,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b
2025-08-31T09:28:59,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a
2025-08-31T09:28:59,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a
2025-08-31T09:28:59,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2
2025-08-31T09:28:59,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2
2025-08-31T09:28:59,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19
2025-08-31T09:28:59,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19
2025-08-31T09:28:59,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a
2025-08-31T09:28:59,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a
2025-08-31T09:28:59,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b
2025-08-31T09:28:59,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b
2025-08-31T09:28:59,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16
2025-08-31T09:28:59,488   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16
2025-08-31T09:28:59,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b
2025-08-31T09:28:59,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b
2025-08-31T09:28:59,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a
2025-08-31T09:28:59,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a
2025-08-31T09:28:59,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1
2025-08-31T09:28:59,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1
2025-08-31T09:28:59,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b
2025-08-31T09:28:59,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b
2025-08-31T09:28:59,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a
2025-08-31T09:28:59,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a
2025-08-31T09:28:59,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b
2025-08-31T09:28:59,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b
2025-08-31T09:28:59,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a
2025-08-31T09:28:59,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a
2025-08-31T09:28:59,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a
2025-08-31T09:28:59,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a
2025-08-31T09:28:59,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b
2025-08-31T09:28:59,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b
2025-08-31T09:28:59,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10
2025-08-31T09:28:59,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10
2025-08-31T09:28:59,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5
2025-08-31T09:28:59,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5
2025-08-31T09:28:59,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a
2025-08-31T09:28:59,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a
2025-08-31T09:28:59,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b
2025-08-31T09:28:59,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b
2025-08-31T09:28:59,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b
2025-08-31T09:28:59,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b
2025-08-31T09:28:59,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b
2025-08-31T09:28:59,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b
2025-08-31T09:28:59,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b
2025-08-31T09:28:59,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b
2025-08-31T09:28:59,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a
2025-08-31T09:28:59,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a
2025-08-31T09:28:59,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a
2025-08-31T09:28:59,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a
2025-08-31T09:28:59,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12
2025-08-31T09:28:59,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12
2025-08-31T09:28:59,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a
2025-08-31T09:28:59,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a
2025-08-31T09:28:59,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a
2025-08-31T09:28:59,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a
2025-08-31T09:28:59,573   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13
2025-08-31T09:28:59,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13
2025-08-31T09:28:59,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b
2025-08-31T09:28:59,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b
2025-08-31T09:28:59,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a
2025-08-31T09:28:59,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a
2025-08-31T09:28:59,584   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a
2025-08-31T09:28:59,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a
2025-08-31T09:28:59,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18
2025-08-31T09:28:59,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18
2025-08-31T09:28:59,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7
2025-08-31T09:28:59,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7
2025-08-31T09:28:59,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b
2025-08-31T09:28:59,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b
2025-08-31T09:28:59,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a
2025-08-31T09:28:59,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a
2025-08-31T09:28:59,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b
2025-08-31T09:28:59,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b
2025-08-31T09:28:59,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21
2025-08-31T09:28:59,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21
2025-08-31T09:28:59,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b
2025-08-31T09:28:59,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b
2025-08-31T09:28:59,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3
2025-08-31T09:28:59,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3
2025-08-31T09:28:59,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a
2025-08-31T09:28:59,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a
2025-08-31T09:28:59,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b
2025-08-31T09:28:59,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b
2025-08-31T09:28:59,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4
2025-08-31T09:28:59,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4
2025-08-31T09:28:59,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17
2025-08-31T09:28:59,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17
2025-08-31T09:28:59,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b
2025-08-31T09:28:59,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b
2025-08-31T09:28:59,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A
2025-08-31T09:28:59,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A
2025-08-31T09:28:59,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228
2025-08-31T09:28:59,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228
2025-08-31T09:28:59,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213
2025-08-31T09:28:59,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213
2025-08-31T09:28:59,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B
2025-08-31T09:28:59,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B
2025-08-31T09:28:59,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A
2025-08-31T09:28:59,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A
2025-08-31T09:28:59,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B
2025-08-31T09:28:59,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B
2025-08-31T09:28:59,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B
2025-08-31T09:28:59,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B
2025-08-31T09:28:59,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A
2025-08-31T09:28:59,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A
2025-08-31T09:28:59,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A
2025-08-31T09:28:59,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A
2025-08-31T09:28:59,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212
2025-08-31T09:28:59,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212
2025-08-31T09:28:59,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B
2025-08-31T09:28:59,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B
2025-08-31T09:28:59,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202
2025-08-31T09:28:59,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202
2025-08-31T09:28:59,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152
2025-08-31T09:28:59,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152
2025-08-31T09:28:59,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B
2025-08-31T09:28:59,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B
2025-08-31T09:28:59,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B
2025-08-31T09:28:59,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B
2025-08-31T09:28:59,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008
2025-08-31T09:28:59,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008
2025-08-31T09:28:59,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A
2025-08-31T09:28:59,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A
2025-08-31T09:28:59,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A
2025-08-31T09:28:59,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A
2025-08-31T09:28:59,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150
2025-08-31T09:28:59,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150
2025-08-31T09:28:59,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A
2025-08-31T09:28:59,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A
2025-08-31T09:28:59,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B
2025-08-31T09:28:59,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B
2025-08-31T09:28:59,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A
2025-08-31T09:28:59,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A
2025-08-31T09:28:59,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B
2025-08-31T09:28:59,721   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B
2025-08-31T09:28:59,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B
2025-08-31T09:28:59,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B
2025-08-31T09:28:59,728   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A
2025-08-31T09:28:59,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A
2025-08-31T09:28:59,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B
2025-08-31T09:28:59,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B
2025-08-31T09:28:59,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230
2025-08-31T09:28:59,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230
2025-08-31T09:28:59,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A
2025-08-31T09:28:59,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A
2025-08-31T09:28:59,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B
2025-08-31T09:28:59,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B
2025-08-31T09:28:59,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229
2025-08-31T09:28:59,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229
2025-08-31T09:28:59,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B
2025-08-31T09:28:59,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B
2025-08-31T09:28:59,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144
2025-08-31T09:28:59,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144
2025-08-31T09:28:59,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147
2025-08-31T09:28:59,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147
2025-08-31T09:28:59,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B
2025-08-31T09:28:59,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B
2025-08-31T09:28:59,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A
2025-08-31T09:28:59,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A
2025-08-31T09:28:59,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227
2025-08-31T09:28:59,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227
2025-08-31T09:28:59,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148
2025-08-31T09:28:59,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148
2025-08-31T09:28:59,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B
2025-08-31T09:28:59,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B
2025-08-31T09:28:59,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A
2025-08-31T09:28:59,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A
2025-08-31T09:28:59,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187
2025-08-31T09:28:59,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187
2025-08-31T09:28:59,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A
2025-08-31T09:28:59,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A
2025-08-31T09:28:59,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A
2025-08-31T09:28:59,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A
2025-08-31T09:28:59,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214
2025-08-31T09:28:59,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214
2025-08-31T09:28:59,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B
2025-08-31T09:28:59,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B
2025-08-31T09:28:59,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A
2025-08-31T09:28:59,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A
2025-08-31T09:28:59,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231
2025-08-31T09:28:59,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231
2025-08-31T09:28:59,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B
2025-08-31T09:28:59,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B
2025-08-31T09:28:59,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A
2025-08-31T09:28:59,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A
2025-08-31T09:28:59,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A
2025-08-31T09:28:59,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A
2025-08-31T09:28:59,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B
2025-08-31T09:28:59,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B
2025-08-31T09:28:59,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A
2025-08-31T09:28:59,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A
2025-08-31T09:28:59,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11
2025-08-31T09:28:59,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11
2025-08-31T09:28:59,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B
2025-08-31T09:28:59,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B
2025-08-31T09:28:59,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A
2025-08-31T09:28:59,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A
2025-08-31T09:28:59,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A
2025-08-31T09:28:59,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A
2025-08-31T09:28:59,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A
2025-08-31T09:28:59,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A
2025-08-31T09:28:59,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B
2025-08-31T09:28:59,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B
2025-08-31T09:28:59,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15
2025-08-31T09:28:59,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15
2025-08-31T09:28:59,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A
2025-08-31T09:28:59,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A
2025-08-31T09:28:59,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A
2025-08-31T09:28:59,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A
2025-08-31T09:28:59,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20
2025-08-31T09:28:59,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20
2025-08-31T09:28:59,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6
2025-08-31T09:28:59,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6
2025-08-31T09:28:59,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A
2025-08-31T09:28:59,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A
2025-08-31T09:28:59,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8
2025-08-31T09:28:59,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8
2025-08-31T09:28:59,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9
2025-08-31T09:28:59,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9
2025-08-31T09:28:59,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B
2025-08-31T09:28:59,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B
2025-08-31T09:28:59,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B
2025-08-31T09:28:59,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B
2025-08-31T09:28:59,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B
2025-08-31T09:28:59,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B
2025-08-31T09:28:59,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A
2025-08-31T09:28:59,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A
2025-08-31T09:28:59,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14
2025-08-31T09:28:59,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14
2025-08-31T09:28:59,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B
2025-08-31T09:28:59,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B
2025-08-31T09:28:59,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A
2025-08-31T09:28:59,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A
2025-08-31T09:28:59,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B
2025-08-31T09:28:59,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B
2025-08-31T09:28:59,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A
2025-08-31T09:28:59,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A
2025-08-31T09:28:59,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B
2025-08-31T09:28:59,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B
2025-08-31T09:28:59,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A
2025-08-31T09:28:59,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A
2025-08-31T09:28:59,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A
2025-08-31T09:28:59,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A
2025-08-31T09:28:59,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B
2025-08-31T09:28:59,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B
2025-08-31T09:28:59,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B
2025-08-31T09:28:59,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B
2025-08-31T09:28:59,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B
2025-08-31T09:28:59,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B
2025-08-31T09:28:59,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2
2025-08-31T09:28:59,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2
2025-08-31T09:28:59,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19
2025-08-31T09:28:59,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19
2025-08-31T09:28:59,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B
2025-08-31T09:28:59,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B
2025-08-31T09:28:59,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B
2025-08-31T09:28:59,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B
2025-08-31T09:28:59,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16
2025-08-31T09:28:59,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16
2025-08-31T09:28:59,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1
2025-08-31T09:28:59,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1
2025-08-31T09:28:59,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B
2025-08-31T09:28:59,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B
2025-08-31T09:28:59,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B
2025-08-31T09:28:59,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B
2025-08-31T09:28:59,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B
2025-08-31T09:28:59,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B
2025-08-31T09:28:59,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A
2025-08-31T09:28:59,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A
2025-08-31T09:28:59,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B
2025-08-31T09:28:59,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B
2025-08-31T09:28:59,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A
2025-08-31T09:28:59,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A
2025-08-31T09:28:59,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10
2025-08-31T09:28:59,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10
2025-08-31T09:28:59,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5
2025-08-31T09:28:59,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5
2025-08-31T09:28:59,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A
2025-08-31T09:28:59,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A
2025-08-31T09:29:00,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A
2025-08-31T09:29:00,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A
2025-08-31T09:29:00,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A
2025-08-31T09:29:00,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A
2025-08-31T09:29:00,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12
2025-08-31T09:29:00,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12
2025-08-31T09:29:00,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13
2025-08-31T09:29:00,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13
2025-08-31T09:29:00,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18
2025-08-31T09:29:00,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18
2025-08-31T09:29:00,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7
2025-08-31T09:29:00,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7
2025-08-31T09:29:00,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B
2025-08-31T09:29:00,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B
2025-08-31T09:29:00,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B
2025-08-31T09:29:00,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B
2025-08-31T09:29:00,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A
2025-08-31T09:29:00,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A
2025-08-31T09:29:00,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21
2025-08-31T09:29:00,036   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21
2025-08-31T09:29:00,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B
2025-08-31T09:29:00,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B
2025-08-31T09:29:00,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3
2025-08-31T09:29:00,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3
2025-08-31T09:29:00,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A
2025-08-31T09:29:00,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A
2025-08-31T09:29:00,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A
2025-08-31T09:29:00,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A
2025-08-31T09:29:00,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4
2025-08-31T09:29:00,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4
2025-08-31T09:29:00,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17
2025-08-31T09:29:00,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17
2025-08-31T09:29:00,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:00,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:00,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:00,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:00,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:00,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:00,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:00,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:00,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:00,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:00,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2
2025-08-31T09:29:00,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2
2025-08-31T09:29:00,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:00,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:00,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz
2025-08-31T09:29:00,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz
2025-08-31T09:29:00,091   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:00,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:00,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:00,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:00,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:00,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:00,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:00,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:00,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:00,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:00,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:00,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:00,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch
2025-08-31T09:29:00,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch
2025-08-31T09:29:00,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2
2025-08-31T09:29:00,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2
2025-08-31T09:29:00,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:00,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:00,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:00,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:00,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:00,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:00,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:00,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:00,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:00,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:00,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:00,143   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
2025-08-31T09:29:00,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8
2025-08-31T09:29:00,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8
2025-08-31T09:29:00,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:00,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:00,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:00,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:00,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+
2025-08-31T09:29:00,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+
2025-08-31T09:29:00,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:00,161   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
2025-08-31T09:29:00,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2
2025-08-31T09:29:00,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2
2025-08-31T09:29:00,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:00,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:00,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:00,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:00,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8
2025-08-31T09:29:00,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8
2025-08-31T09:29:00,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+
2025-08-31T09:29:00,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+
2025-08-31T09:29:00,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:00,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:00,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:00,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:00,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me
2025-08-31T09:29:00,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me
2025-08-31T09:29:00,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:00,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:00,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2
2025-08-31T09:29:00,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2
2025-08-31T09:29:00,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h
2025-08-31T09:29:00,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h
2025-08-31T09:29:00,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:00,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:00,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:00,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:00,214   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:00,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:00,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:00,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:00,222   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:00,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:00,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:00,227   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:00,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:00,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:00,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:00,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:00,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:00,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:00,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:00,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:00,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:00,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:00,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:00,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:00,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:00,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:00,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:00,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:00,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:00,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:00,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:00,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:00,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:00,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:00,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:00,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:00,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:00,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:00,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:00,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:00,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:00,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:00,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:00,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:00,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:00,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:00,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:00,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:00,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:00,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:00,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:00,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:00,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:00,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:00,313   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:00,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:00,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:00,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:00,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:00,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:00,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:00,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:00,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:00,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:00,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:00,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:00,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:00,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:00,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:00,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:00,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:00,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:00,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:00,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:00,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:00,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:00,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:00,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:00,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:00,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:00,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:00,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:00,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:00,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:00,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02
2025-08-31T09:29:00,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02
2025-08-31T09:29:00,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:00,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:00,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o
2025-08-31T09:29:00,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o
2025-08-31T09:29:00,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2
2025-08-31T09:29:00,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2
2025-08-31T09:29:00,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05
2025-08-31T09:29:00,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05
2025-08-31T09:29:00,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08
2025-08-31T09:29:00,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08
2025-08-31T09:29:00,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18
2025-08-31T09:29:00,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18
2025-08-31T09:29:00,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h
2025-08-31T09:29:00,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h
2025-08-31T09:29:00,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:00,403   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:00,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06
2025-08-31T09:29:00,407   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06
2025-08-31T09:29:00,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2
2025-08-31T09:29:00,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2
2025-08-31T09:29:00,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:00,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:00,417   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5
2025-08-31T09:29:00,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5
2025-08-31T09:29:00,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15
2025-08-31T09:29:00,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15
2025-08-31T09:29:00,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:00,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:00,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:00,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:00,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc
2025-08-31T09:29:00,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc
2025-08-31T09:29:00,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf
2025-08-31T09:29:00,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf
2025-08-31T09:29:00,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:00,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:00,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco
2025-08-31T09:29:00,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco
2025-08-31T09:29:00,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4
2025-08-31T09:29:00,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4
2025-08-31T09:29:00,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14
2025-08-31T09:29:00,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14
2025-08-31T09:29:00,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh
2025-08-31T09:29:00,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh
2025-08-31T09:29:00,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13
2025-08-31T09:29:00,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13
2025-08-31T09:29:00,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:00,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:00,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09
2025-08-31T09:29:00,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09
2025-08-31T09:29:00,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf
2025-08-31T09:29:00,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf
2025-08-31T09:29:00,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2
2025-08-31T09:29:00,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2
2025-08-31T09:29:00,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2
2025-08-31T09:29:00,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2
2025-08-31T09:29:00,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07
2025-08-31T09:29:00,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07
2025-08-31T09:29:00,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8
2025-08-31T09:29:00,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8
2025-08-31T09:29:00,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:00,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:00,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10
2025-08-31T09:29:00,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10
2025-08-31T09:29:00,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:00,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:00,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:00,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:00,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:00,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:00,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts
2025-08-31T09:29:00,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts
2025-08-31T09:29:00,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2
2025-08-31T09:29:00,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2
2025-08-31T09:29:00,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl
2025-08-31T09:29:00,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl
2025-08-31T09:29:00,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f
2025-08-31T09:29:00,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f
2025-08-31T09:29:00,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19
2025-08-31T09:29:00,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19
2025-08-31T09:29:00,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:00,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:00,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03
2025-08-31T09:29:00,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03
2025-08-31T09:29:00,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:00,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:00,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3
2025-08-31T09:29:00,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3
2025-08-31T09:29:00,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16
2025-08-31T09:29:00,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16
2025-08-31T09:29:00,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3
2025-08-31T09:29:00,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3
2025-08-31T09:29:00,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12
2025-08-31T09:29:00,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12
2025-08-31T09:29:00,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6
2025-08-31T09:29:00,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6
2025-08-31T09:29:00,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:00,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:00,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S
2025-08-31T09:29:00,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S
2025-08-31T09:29:00,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01
2025-08-31T09:29:00,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01
2025-08-31T09:29:00,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O
2025-08-31T09:29:00,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O
2025-08-31T09:29:00,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04
2025-08-31T09:29:00,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04
2025-08-31T09:29:00,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20
2025-08-31T09:29:00,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20
2025-08-31T09:29:00,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts
2025-08-31T09:29:00,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts
2025-08-31T09:29:00,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7
2025-08-31T09:29:00,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7
2025-08-31T09:29:00,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H
2025-08-31T09:29:00,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H
2025-08-31T09:29:00,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-
2025-08-31T09:29:00,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-
2025-08-31T09:29:00,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS
2025-08-31T09:29:00,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS
2025-08-31T09:29:00,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3
2025-08-31T09:29:00,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3
2025-08-31T09:29:00,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-
2025-08-31T09:29:00,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-
2025-08-31T09:29:00,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4
2025-08-31T09:29:00,611   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4
2025-08-31T09:29:00,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2
2025-08-31T09:29:00,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2
2025-08-31T09:29:00,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22
2025-08-31T09:29:00,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22
2025-08-31T09:29:00,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5
2025-08-31T09:29:00,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5
2025-08-31T09:29:00,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:00,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:00,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:00,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:00,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH
2025-08-31T09:29:00,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH
2025-08-31T09:29:00,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:00,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:00,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co
2025-08-31T09:29:00,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co
2025-08-31T09:29:00,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:00,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:00,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts
2025-08-31T09:29:00,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts
2025-08-31T09:29:00,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f
2025-08-31T09:29:00,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f
2025-08-31T09:29:00,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O
2025-08-31T09:29:00,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O
2025-08-31T09:29:00,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2
2025-08-31T09:29:00,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2
2025-08-31T09:29:00,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl
2025-08-31T09:29:00,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl
2025-08-31T09:29:00,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:00,667   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:00,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots
2025-08-31T09:29:00,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots
2025-08-31T09:29:00,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn
2025-08-31T09:29:00,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn
2025-08-31T09:29:00,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11
2025-08-31T09:29:00,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11
2025-08-31T09:29:00,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21
2025-08-31T09:29:00,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21
2025-08-31T09:29:00,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17
2025-08-31T09:29:00,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17
2025-08-31T09:29:00,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-
2025-08-31T09:29:00,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-
2025-08-31T09:29:00,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:00,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:00,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:00,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:00,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:00,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:00,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:00,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:00,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:00,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:00,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:00,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:00,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:00,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:00,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:00,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:00,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:00,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:00,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:00,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:00,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:00,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:00,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:00,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:00,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:00,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:00,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:00,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:00,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:00,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:00,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:00,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:00,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:00,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:00,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:00,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:00,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:00,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:00,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:00,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:00,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:00,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:00,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:00,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:00,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:00,777   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:00,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:00,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:00,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:00,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:00,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:00,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:00,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:00,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:00,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:00,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:00,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:00,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:00,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:00,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:00,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:00,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:00,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:00,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:00,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:00,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:00,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:00,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:00,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:00,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:00,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:00,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:00,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:00,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:00,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:00,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:00,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:00,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:00,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:00,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:00,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:00,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:00,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:00,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:00,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:00,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:00,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:00,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:00,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:00,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:00,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:00,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:00,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:00,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:00,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:00,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:00,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:00,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:00,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:00,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:00,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:00,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:00,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:00,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:00,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:00,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:00,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:00,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:00,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:00,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:00,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:00,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:00,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:00,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:00,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:00,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:00,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:00,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:00,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:00,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:00,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:00,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:00,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:00,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:00,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:00,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:00,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:00,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:00,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:00,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:00,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:00,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:00,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:00,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:00,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:00,954   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:00,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A
2025-08-31T09:29:00,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A
2025-08-31T09:29:00,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:00,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:00,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne
2025-08-31T09:29:00,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne
2025-08-31T09:29:00,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20
2025-08-31T09:29:00,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20
2025-08-31T09:29:00,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+
2025-08-31T09:29:00,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+
2025-08-31T09:29:00,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:00,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:00,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:00,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:00,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:00,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:00,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43
2025-08-31T09:29:00,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43
2025-08-31T09:29:00,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48
2025-08-31T09:29:00,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48
2025-08-31T09:29:00,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:00,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:00,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:01,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:01,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:01,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:01,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:01,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:01,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:01,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:01,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:01,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:01,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:01,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:01,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:01,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:01,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2
2025-08-31T09:29:01,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2
2025-08-31T09:29:01,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:01,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:01,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:01,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:01,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:01,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:01,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:01,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:01,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:01,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:01,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:01,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:01,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:01,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:01,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+
2025-08-31T09:29:01,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+
2025-08-31T09:29:01,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68
2025-08-31T09:29:01,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68
2025-08-31T09:29:01,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a
2025-08-31T09:29:01,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a
2025-08-31T09:29:01,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:01,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:01,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A
2025-08-31T09:29:01,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A
2025-08-31T09:29:01,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h
2025-08-31T09:29:01,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h
2025-08-31T09:29:01,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20
2025-08-31T09:29:01,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20
2025-08-31T09:29:01,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6
2025-08-31T09:29:01,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6
2025-08-31T09:29:01,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:01,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:01,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:01,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:01,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:01,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:01,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1
2025-08-31T09:29:01,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1
2025-08-31T09:29:01,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s
2025-08-31T09:29:01,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s
2025-08-31T09:29:01,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8
2025-08-31T09:29:01,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8
2025-08-31T09:29:01,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47
2025-08-31T09:29:01,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47
2025-08-31T09:29:01,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si
2025-08-31T09:29:01,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si
2025-08-31T09:29:01,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:01,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:01,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:01,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:01,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf
2025-08-31T09:29:01,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf
2025-08-31T09:29:01,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:01,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:01,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:01,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:01,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco
2025-08-31T09:29:01,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco
2025-08-31T09:29:01,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B
2025-08-31T09:29:01,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B
2025-08-31T09:29:01,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39
2025-08-31T09:29:01,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39
2025-08-31T09:29:01,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:01,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:01,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg
2025-08-31T09:29:01,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg
2025-08-31T09:29:01,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh
2025-08-31T09:29:01,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh
2025-08-31T09:29:01,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A
2025-08-31T09:29:01,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A
2025-08-31T09:29:01,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:01,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:01,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k
2025-08-31T09:29:01,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k
2025-08-31T09:29:01,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34
2025-08-31T09:29:01,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34
2025-08-31T09:29:01,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o
2025-08-31T09:29:01,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o
2025-08-31T09:29:01,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:01,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:01,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59
2025-08-31T09:29:01,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59
2025-08-31T09:29:01,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf
2025-08-31T09:29:01,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf
2025-08-31T09:29:01,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:01,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:01,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b
2025-08-31T09:29:01,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b
2025-08-31T09:29:01,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:01,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:01,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:01,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:01,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:01,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:01,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:01,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:01,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:01,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:01,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:01,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:01,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:01,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:01,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be
2025-08-31T09:29:01,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be
2025-08-31T09:29:01,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:01,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:01,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:01,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:01,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B
2025-08-31T09:29:01,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B
2025-08-31T09:29:01,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao
2025-08-31T09:29:01,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao
2025-08-31T09:29:01,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A
2025-08-31T09:29:01,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A
2025-08-31T09:29:01,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:01,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:01,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:01,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:01,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B
2025-08-31T09:29:01,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B
2025-08-31T09:29:01,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic
2025-08-31T09:29:01,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic
2025-08-31T09:29:01,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:01,259   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
2025-08-31T09:29:01,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:01,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:01,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2
2025-08-31T09:29:01,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2
2025-08-31T09:29:01,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c
2025-08-31T09:29:01,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c
2025-08-31T09:29:01,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:01,275   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:01,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24
2025-08-31T09:29:01,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24
2025-08-31T09:29:01,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B
2025-08-31T09:29:01,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B
2025-08-31T09:29:01,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:01,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:01,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b
2025-08-31T09:29:01,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b
2025-08-31T09:29:01,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25
2025-08-31T09:29:01,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25
2025-08-31T09:29:01,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:01,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:01,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:01,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:01,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1
2025-08-31T09:29:01,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1
2025-08-31T09:29:01,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:01,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:01,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:01,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:01,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:01,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:01,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl
2025-08-31T09:29:01,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl
2025-08-31T09:29:01,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:01,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:01,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f
2025-08-31T09:29:01,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f
2025-08-31T09:29:01,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf
2025-08-31T09:29:01,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf
2025-08-31T09:29:01,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B
2025-08-31T09:29:01,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B
2025-08-31T09:29:01,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:01,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:01,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:01,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:01,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20
2025-08-31T09:29:01,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20
2025-08-31T09:29:01,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:01,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:01,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:01,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:01,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh
2025-08-31T09:29:01,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh
2025-08-31T09:29:01,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:01,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:01,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:01,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:01,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73
2025-08-31T09:29:01,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73
2025-08-31T09:29:01,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5
2025-08-31T09:29:01,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5
2025-08-31T09:29:01,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:01,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:01,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:01,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:01,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:01,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:01,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:01,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:01,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A
2025-08-31T09:29:01,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A
2025-08-31T09:29:01,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:01,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:01,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:01,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:01,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:01,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:01,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:01,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:01,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:01,420   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
2025-08-31T09:29:01,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A
2025-08-31T09:29:01,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A
2025-08-31T09:29:01,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+
2025-08-31T09:29:01,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+
2025-08-31T09:29:01,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:01,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:01,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:01,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:01,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:01,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:01,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:01,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:01,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca
2025-08-31T09:29:01,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca
2025-08-31T09:29:01,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13
2025-08-31T09:29:01,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13
2025-08-31T09:29:01,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:01,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:01,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2
2025-08-31T09:29:01,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2
2025-08-31T09:29:01,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:01,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:01,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:01,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:01,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:01,473   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
2025-08-31T09:29:01,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+
2025-08-31T09:29:01,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+
2025-08-31T09:29:01,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:01,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:01,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45
2025-08-31T09:29:01,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45
2025-08-31T09:29:01,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al
2025-08-31T09:29:01,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al
2025-08-31T09:29:01,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18
2025-08-31T09:29:01,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18
2025-08-31T09:29:01,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:01,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:01,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:01,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:01,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58
2025-08-31T09:29:01,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58
2025-08-31T09:29:01,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:01,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:01,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:01,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:01,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:01,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:01,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B
2025-08-31T09:29:01,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B
2025-08-31T09:29:01,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr
2025-08-31T09:29:01,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr
2025-08-31T09:29:01,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A
2025-08-31T09:29:01,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A
2025-08-31T09:29:01,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B
2025-08-31T09:29:01,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B
2025-08-31T09:29:01,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40
2025-08-31T09:29:01,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40
2025-08-31T09:29:01,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:01,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:01,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:01,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:01,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:01,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:01,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A
2025-08-31T09:29:01,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A
2025-08-31T09:29:01,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh
2025-08-31T09:29:01,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh
2025-08-31T09:29:01,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:01,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:01,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:01,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:01,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:01,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:01,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:01,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:01,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:01,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:01,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:01,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:01,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:01,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:01,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:01,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:01,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:01,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:01,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:01,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:01,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar
2025-08-31T09:29:01,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar
2025-08-31T09:29:01,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4
2025-08-31T09:29:01,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4
2025-08-31T09:29:01,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:01,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:01,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he
2025-08-31T09:29:01,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he
2025-08-31T09:29:01,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:01,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:01,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:01,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:01,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:01,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:01,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:01,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:01,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:01,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:01,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:01,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:01,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:01,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:01,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:01,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:01,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:01,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:01,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:01,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:01,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:01,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:01,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:01,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:01,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:01,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:01,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:01,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:01,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:01,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:01,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:01,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:01,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:01,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:01,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:01,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:01,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:01,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:01,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:01,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:01,725   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:01,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:01,729   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:01,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:01,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:01,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:01,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:01,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:01,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:01,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:01,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:01,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:01,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:01,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:01,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:01,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:01,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:01,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:01,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene
2025-08-31T09:29:01,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene
2025-08-31T09:29:01,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine
2025-08-31T09:29:01,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine
2025-08-31T09:29:01,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1
2025-08-31T09:29:01,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1
2025-08-31T09:29:01,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X
2025-08-31T09:29:01,780   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X
2025-08-31T09:29:01,783   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5
2025-08-31T09:29:01,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5
2025-08-31T09:29:01,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3
2025-08-31T09:29:01,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3
2025-08-31T09:29:01,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6
2025-08-31T09:29:01,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6
2025-08-31T09:29:01,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane
2025-08-31T09:29:01,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane
2025-08-31T09:29:01,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4
2025-08-31T09:29:01,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4
2025-08-31T09:29:01,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8
2025-08-31T09:29:01,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8
2025-08-31T09:29:01,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X
2025-08-31T09:29:01,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X
2025-08-31T09:29:01,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2
2025-08-31T09:29:01,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2
2025-08-31T09:29:01,818   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X
2025-08-31T09:29:01,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X
2025-08-31T09:29:01,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:01,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:01,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene
2025-08-31T09:29:01,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene
2025-08-31T09:29:01,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X
2025-08-31T09:29:01,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X
2025-08-31T09:29:01,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9
2025-08-31T09:29:01,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9
2025-08-31T09:29:01,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7
2025-08-31T09:29:01,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7
2025-08-31T09:29:01,845   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein
2025-08-31T09:29:01,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein
2025-08-31T09:29:01,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10
2025-08-31T09:29:01,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10
2025-08-31T09:29:01,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene
2025-08-31T09:29:01,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene
2025-08-31T09:29:01,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:01,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:01,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:01,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:01,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:01,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:01,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:01,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:01,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:01,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:01,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:01,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:01,886   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:01,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:01,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:01,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:01,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:01,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:01,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:01,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:01,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:01,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:01,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:01,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:01,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:01,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:01,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:01,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:01,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:01,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:01,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:01,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:01,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:01,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:01,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:01,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:01,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:01,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:01,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:01,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:01,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:01,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:01,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:01,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:01,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6
2025-08-31T09:29:01,954   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6
2025-08-31T09:29:01,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8
2025-08-31T09:29:01,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8
2025-08-31T09:29:01,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9
2025-08-31T09:29:01,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9
2025-08-31T09:29:01,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2
2025-08-31T09:29:01,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2
2025-08-31T09:29:01,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1
2025-08-31T09:29:01,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1
2025-08-31T09:29:01,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10
2025-08-31T09:29:01,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10
2025-08-31T09:29:01,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5
2025-08-31T09:29:01,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5
2025-08-31T09:29:01,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7
2025-08-31T09:29:01,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7
2025-08-31T09:29:01,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3
2025-08-31T09:29:01,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3
2025-08-31T09:29:01,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4
2025-08-31T09:29:01,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4
2025-08-31T09:29:01,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04
2025-08-31T09:29:01,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04
2025-08-31T09:29:01,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11
2025-08-31T09:29:01,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11
2025-08-31T09:29:01,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b
2025-08-31T09:29:01,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b
2025-08-31T09:29:02,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a
2025-08-31T09:29:02,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a
2025-08-31T09:29:02,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15
2025-08-31T09:29:02,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15
2025-08-31T09:29:02,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09
2025-08-31T09:29:02,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09
2025-08-31T09:29:02,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20
2025-08-31T09:29:02,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20
2025-08-31T09:29:02,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b
2025-08-31T09:29:02,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b
2025-08-31T09:29:02,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01
2025-08-31T09:29:02,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01
2025-08-31T09:29:02,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b
2025-08-31T09:29:02,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b
2025-08-31T09:29:02,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a
2025-08-31T09:29:02,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a
2025-08-31T09:29:02,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06
2025-08-31T09:29:02,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06
2025-08-31T09:29:02,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a
2025-08-31T09:29:02,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a
2025-08-31T09:29:02,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a
2025-08-31T09:29:02,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a
2025-08-31T09:29:02,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14
2025-08-31T09:29:02,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14
2025-08-31T09:29:02,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b
2025-08-31T09:29:02,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b
2025-08-31T09:29:02,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22
2025-08-31T09:29:02,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22
2025-08-31T09:29:02,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b
2025-08-31T09:29:02,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b
2025-08-31T09:29:02,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a
2025-08-31T09:29:02,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a
2025-08-31T09:29:02,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b
2025-08-31T09:29:02,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b
2025-08-31T09:29:02,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a
2025-08-31T09:29:02,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a
2025-08-31T09:29:02,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07
2025-08-31T09:29:02,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07
2025-08-31T09:29:02,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a
2025-08-31T09:29:02,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a
2025-08-31T09:29:02,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a
2025-08-31T09:29:02,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a
2025-08-31T09:29:02,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19
2025-08-31T09:29:02,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19
2025-08-31T09:29:02,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b
2025-08-31T09:29:02,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b
2025-08-31T09:29:02,087   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16
2025-08-31T09:29:02,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16
2025-08-31T09:29:02,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b
2025-08-31T09:29:02,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b
2025-08-31T09:29:02,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a
2025-08-31T09:29:02,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a
2025-08-31T09:29:02,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b
2025-08-31T09:29:02,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b
2025-08-31T09:29:02,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03
2025-08-31T09:29:02,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03
2025-08-31T09:29:02,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05
2025-08-31T09:29:02,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05
2025-08-31T09:29:02,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a
2025-08-31T09:29:02,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a
2025-08-31T09:29:02,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08
2025-08-31T09:29:02,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08
2025-08-31T09:29:02,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a
2025-08-31T09:29:02,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a
2025-08-31T09:29:02,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a
2025-08-31T09:29:02,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a
2025-08-31T09:29:02,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b
2025-08-31T09:29:02,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b
2025-08-31T09:29:02,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10
2025-08-31T09:29:02,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10
2025-08-31T09:29:02,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a
2025-08-31T09:29:02,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a
2025-08-31T09:29:02,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a
2025-08-31T09:29:02,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a
2025-08-31T09:29:02,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a
2025-08-31T09:29:02,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a
2025-08-31T09:29:02,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b
2025-08-31T09:29:02,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b
2025-08-31T09:29:02,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a
2025-08-31T09:29:02,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a
2025-08-31T09:29:02,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12
2025-08-31T09:29:02,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12
2025-08-31T09:29:02,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a
2025-08-31T09:29:02,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a
2025-08-31T09:29:02,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02
2025-08-31T09:29:02,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02
2025-08-31T09:29:02,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a
2025-08-31T09:29:02,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a
2025-08-31T09:29:02,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13
2025-08-31T09:29:02,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13
2025-08-31T09:29:02,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b
2025-08-31T09:29:02,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b
2025-08-31T09:29:02,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18
2025-08-31T09:29:02,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18
2025-08-31T09:29:02,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a
2025-08-31T09:29:02,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a
2025-08-31T09:29:02,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a
2025-08-31T09:29:02,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a
2025-08-31T09:29:02,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a
2025-08-31T09:29:02,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a
2025-08-31T09:29:02,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21
2025-08-31T09:29:02,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21
2025-08-31T09:29:02,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b
2025-08-31T09:29:02,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b
2025-08-31T09:29:02,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17
2025-08-31T09:29:02,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17
2025-08-31T09:29:02,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a
2025-08-31T09:29:02,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a
2025-08-31T09:29:02,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9
2025-08-31T09:29:02,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9
2025-08-31T09:29:02,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4
2025-08-31T09:29:02,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4
2025-08-31T09:29:02,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9
2025-08-31T09:29:02,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9
2025-08-31T09:29:02,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13
2025-08-31T09:29:02,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13
2025-08-31T09:29:02,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5
2025-08-31T09:29:02,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5
2025-08-31T09:29:02,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4
2025-08-31T09:29:02,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4
2025-08-31T09:29:02,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7
2025-08-31T09:29:02,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7
2025-08-31T09:29:02,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8
2025-08-31T09:29:02,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8
2025-08-31T09:29:02,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5
2025-08-31T09:29:02,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5
2025-08-31T09:29:02,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5
2025-08-31T09:29:02,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5
2025-08-31T09:29:02,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11
2025-08-31T09:29:02,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11
2025-08-31T09:29:02,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10
2025-08-31T09:29:02,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10
2025-08-31T09:29:02,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15
2025-08-31T09:29:02,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15
2025-08-31T09:29:02,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1
2025-08-31T09:29:02,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1
2025-08-31T09:29:02,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14
2025-08-31T09:29:02,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14
2025-08-31T09:29:02,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4
2025-08-31T09:29:02,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4
2025-08-31T09:29:02,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16
2025-08-31T09:29:02,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16
2025-08-31T09:29:02,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13
2025-08-31T09:29:02,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13
2025-08-31T09:29:02,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6
2025-08-31T09:29:02,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6
2025-08-31T09:29:02,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3
2025-08-31T09:29:02,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3
2025-08-31T09:29:02,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2
2025-08-31T09:29:02,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2
2025-08-31T09:29:02,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6
2025-08-31T09:29:02,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6
2025-08-31T09:29:02,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12
2025-08-31T09:29:02,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12
2025-08-31T09:29:02,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11
2025-08-31T09:29:02,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11
2025-08-31T09:29:02,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1
2025-08-31T09:29:02,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1
2025-08-31T09:29:02,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3
2025-08-31T09:29:02,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3
2025-08-31T09:29:02,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3
2025-08-31T09:29:02,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3
2025-08-31T09:29:02,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2
2025-08-31T09:29:02,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2
2025-08-31T09:29:02,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10
2025-08-31T09:29:02,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10
2025-08-31T09:29:02,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:02,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:02,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12
2025-08-31T09:29:02,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12
2025-08-31T09:29:02,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15
2025-08-31T09:29:02,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15
2025-08-31T09:29:02,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7
2025-08-31T09:29:02,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7
2025-08-31T09:29:02,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14
2025-08-31T09:29:02,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14
2025-08-31T09:29:02,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8
2025-08-31T09:29:02,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8
2025-08-31T09:29:02,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1
2025-08-31T09:29:02,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1
2025-08-31T09:29:02,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4
2025-08-31T09:29:02,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4
2025-08-31T09:29:02,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2
2025-08-31T09:29:02,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2
2025-08-31T09:29:02,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04
2025-08-31T09:29:02,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04
2025-08-31T09:29:02,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A
2025-08-31T09:29:02,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A
2025-08-31T09:29:02,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B
2025-08-31T09:29:02,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B
2025-08-31T09:29:02,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B
2025-08-31T09:29:02,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B
2025-08-31T09:29:02,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23
2025-08-31T09:29:02,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23
2025-08-31T09:29:02,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A
2025-08-31T09:29:02,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A
2025-08-31T09:29:02,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A
2025-08-31T09:29:02,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A
2025-08-31T09:29:02,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B
2025-08-31T09:29:02,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B
2025-08-31T09:29:02,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B
2025-08-31T09:29:02,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B
2025-08-31T09:29:02,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B
2025-08-31T09:29:02,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B
2025-08-31T09:29:02,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A
2025-08-31T09:29:02,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A
2025-08-31T09:29:02,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43
2025-08-31T09:29:02,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43
2025-08-31T09:29:02,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48
2025-08-31T09:29:02,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48
2025-08-31T09:29:02,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A
2025-08-31T09:29:02,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A
2025-08-31T09:29:02,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11
2025-08-31T09:29:02,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11
2025-08-31T09:29:02,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B
2025-08-31T09:29:02,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B
2025-08-31T09:29:02,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B
2025-08-31T09:29:02,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B
2025-08-31T09:29:02,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A
2025-08-31T09:29:02,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A
2025-08-31T09:29:02,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A
2025-08-31T09:29:02,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A
2025-08-31T09:29:02,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A
2025-08-31T09:29:02,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A
2025-08-31T09:29:02,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B
2025-08-31T09:29:02,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B
2025-08-31T09:29:02,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A
2025-08-31T09:29:02,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A
2025-08-31T09:29:02,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A
2025-08-31T09:29:02,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A
2025-08-31T09:29:02,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A
2025-08-31T09:29:02,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A
2025-08-31T09:29:02,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B
2025-08-31T09:29:02,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B
2025-08-31T09:29:02,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31
2025-08-31T09:29:02,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31
2025-08-31T09:29:02,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A
2025-08-31T09:29:02,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A
2025-08-31T09:29:02,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B
2025-08-31T09:29:02,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B
2025-08-31T09:29:02,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A
2025-08-31T09:29:02,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A
2025-08-31T09:29:02,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B
2025-08-31T09:29:02,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B
2025-08-31T09:29:02,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A
2025-08-31T09:29:02,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A
2025-08-31T09:29:02,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15
2025-08-31T09:29:02,510   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15
2025-08-31T09:29:02,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B
2025-08-31T09:29:02,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B
2025-08-31T09:29:02,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09
2025-08-31T09:29:02,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09
2025-08-31T09:29:02,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B
2025-08-31T09:29:02,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B
2025-08-31T09:29:02,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56
2025-08-31T09:29:02,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56
2025-08-31T09:29:02,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B
2025-08-31T09:29:02,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B
2025-08-31T09:29:02,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55
2025-08-31T09:29:02,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55
2025-08-31T09:29:02,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20
2025-08-31T09:29:02,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20
2025-08-31T09:29:02,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A
2025-08-31T09:29:02,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A
2025-08-31T09:29:02,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A
2025-08-31T09:29:02,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A
2025-08-31T09:29:02,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B
2025-08-31T09:29:02,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B
2025-08-31T09:29:02,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A
2025-08-31T09:29:02,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A
2025-08-31T09:29:02,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A
2025-08-31T09:29:02,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A
2025-08-31T09:29:02,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A
2025-08-31T09:29:02,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A
2025-08-31T09:29:02,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36
2025-08-31T09:29:02,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36
2025-08-31T09:29:02,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A
2025-08-31T09:29:02,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A
2025-08-31T09:29:02,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01
2025-08-31T09:29:02,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01
2025-08-31T09:29:02,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B
2025-08-31T09:29:02,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B
2025-08-31T09:29:02,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47
2025-08-31T09:29:02,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47
2025-08-31T09:29:02,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A
2025-08-31T09:29:02,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A
2025-08-31T09:29:02,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B
2025-08-31T09:29:02,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B
2025-08-31T09:29:02,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64
2025-08-31T09:29:02,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64
2025-08-31T09:29:02,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06
2025-08-31T09:29:02,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06
2025-08-31T09:29:02,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B
2025-08-31T09:29:02,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B
2025-08-31T09:29:02,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32
2025-08-31T09:29:02,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32
2025-08-31T09:29:02,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B
2025-08-31T09:29:02,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B
2025-08-31T09:29:02,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B
2025-08-31T09:29:02,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B
2025-08-31T09:29:02,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39
2025-08-31T09:29:02,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39
2025-08-31T09:29:02,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A
2025-08-31T09:29:02,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A
2025-08-31T09:29:02,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A
2025-08-31T09:29:02,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A
2025-08-31T09:29:02,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A
2025-08-31T09:29:02,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A
2025-08-31T09:29:02,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B
2025-08-31T09:29:02,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B
2025-08-31T09:29:02,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B
2025-08-31T09:29:02,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B
2025-08-31T09:29:02,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B
2025-08-31T09:29:02,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B
2025-08-31T09:29:02,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14
2025-08-31T09:29:02,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14
2025-08-31T09:29:02,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A
2025-08-31T09:29:02,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A
2025-08-31T09:29:02,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A
2025-08-31T09:29:02,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A
2025-08-31T09:29:02,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A
2025-08-31T09:29:02,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A
2025-08-31T09:29:02,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34
2025-08-31T09:29:02,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34
2025-08-31T09:29:02,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A
2025-08-31T09:29:02,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A
2025-08-31T09:29:02,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38
2025-08-31T09:29:02,658   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38
2025-08-31T09:29:02,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B
2025-08-31T09:29:02,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B
2025-08-31T09:29:02,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22
2025-08-31T09:29:02,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22
2025-08-31T09:29:02,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B
2025-08-31T09:29:02,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B
2025-08-31T09:29:02,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B
2025-08-31T09:29:02,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B
2025-08-31T09:29:02,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59
2025-08-31T09:29:02,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59
2025-08-31T09:29:02,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B
2025-08-31T09:29:02,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B
2025-08-31T09:29:02,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B
2025-08-31T09:29:02,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B
2025-08-31T09:29:02,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B
2025-08-31T09:29:02,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B
2025-08-31T09:29:02,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51
2025-08-31T09:29:02,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51
2025-08-31T09:29:02,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A
2025-08-31T09:29:02,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A
2025-08-31T09:29:02,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B
2025-08-31T09:29:02,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B
2025-08-31T09:29:02,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60
2025-08-31T09:29:02,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60
2025-08-31T09:29:02,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B
2025-08-31T09:29:02,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B
2025-08-31T09:29:02,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B
2025-08-31T09:29:02,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B
2025-08-31T09:29:02,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A
2025-08-31T09:29:02,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A
2025-08-31T09:29:02,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B
2025-08-31T09:29:02,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B
2025-08-31T09:29:02,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A
2025-08-31T09:29:02,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A
2025-08-31T09:29:02,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07
2025-08-31T09:29:02,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07
2025-08-31T09:29:02,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A
2025-08-31T09:29:02,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A
2025-08-31T09:29:02,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A
2025-08-31T09:29:02,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A
2025-08-31T09:29:02,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29
2025-08-31T09:29:02,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29
2025-08-31T09:29:02,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B
2025-08-31T09:29:02,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B
2025-08-31T09:29:02,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B
2025-08-31T09:29:02,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B
2025-08-31T09:29:02,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A
2025-08-31T09:29:02,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A
2025-08-31T09:29:02,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A
2025-08-31T09:29:02,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A
2025-08-31T09:29:02,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B
2025-08-31T09:29:02,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B
2025-08-31T09:29:02,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A
2025-08-31T09:29:02,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A
2025-08-31T09:29:02,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A
2025-08-31T09:29:02,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A
2025-08-31T09:29:02,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B
2025-08-31T09:29:02,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B
2025-08-31T09:29:02,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B
2025-08-31T09:29:02,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B
2025-08-31T09:29:02,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B
2025-08-31T09:29:02,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B
2025-08-31T09:29:02,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A
2025-08-31T09:29:02,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A
2025-08-31T09:29:02,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B
2025-08-31T09:29:02,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B
2025-08-31T09:29:02,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19
2025-08-31T09:29:02,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19
2025-08-31T09:29:02,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A
2025-08-31T09:29:02,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A
2025-08-31T09:29:02,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A
2025-08-31T09:29:02,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A
2025-08-31T09:29:02,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A
2025-08-31T09:29:02,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A
2025-08-31T09:29:02,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B
2025-08-31T09:29:02,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B
2025-08-31T09:29:02,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B
2025-08-31T09:29:02,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B
2025-08-31T09:29:02,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24
2025-08-31T09:29:02,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24
2025-08-31T09:29:02,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A
2025-08-31T09:29:02,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A
2025-08-31T09:29:02,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54
2025-08-31T09:29:02,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54
2025-08-31T09:29:02,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33
2025-08-31T09:29:02,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33
2025-08-31T09:29:02,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25
2025-08-31T09:29:02,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25
2025-08-31T09:29:02,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28
2025-08-31T09:29:02,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28
2025-08-31T09:29:02,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35
2025-08-31T09:29:02,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35
2025-08-31T09:29:02,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B
2025-08-31T09:29:02,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B
2025-08-31T09:29:02,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50
2025-08-31T09:29:02,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50
2025-08-31T09:29:02,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16
2025-08-31T09:29:02,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16
2025-08-31T09:29:02,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26
2025-08-31T09:29:02,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26
2025-08-31T09:29:02,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A
2025-08-31T09:29:02,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A
2025-08-31T09:29:02,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A
2025-08-31T09:29:02,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A
2025-08-31T09:29:02,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A
2025-08-31T09:29:02,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A
2025-08-31T09:29:02,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A
2025-08-31T09:29:02,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A
2025-08-31T09:29:02,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B
2025-08-31T09:29:02,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B
2025-08-31T09:29:02,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03
2025-08-31T09:29:02,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03
2025-08-31T09:29:02,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A
2025-08-31T09:29:02,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A
2025-08-31T09:29:02,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B
2025-08-31T09:29:02,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B
2025-08-31T09:29:02,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05
2025-08-31T09:29:02,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05
2025-08-31T09:29:02,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52
2025-08-31T09:29:02,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52
2025-08-31T09:29:02,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66
2025-08-31T09:29:02,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66
2025-08-31T09:29:02,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08
2025-08-31T09:29:02,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08
2025-08-31T09:29:02,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B
2025-08-31T09:29:02,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B
2025-08-31T09:29:02,898   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B
2025-08-31T09:29:02,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B
2025-08-31T09:29:02,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A
2025-08-31T09:29:02,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A
2025-08-31T09:29:02,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B
2025-08-31T09:29:02,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B
2025-08-31T09:29:02,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A
2025-08-31T09:29:02,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A
2025-08-31T09:29:02,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B
2025-08-31T09:29:02,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B
2025-08-31T09:29:02,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A
2025-08-31T09:29:02,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A
2025-08-31T09:29:02,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10
2025-08-31T09:29:02,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10
2025-08-31T09:29:02,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65
2025-08-31T09:29:02,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65
2025-08-31T09:29:02,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B
2025-08-31T09:29:02,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B
2025-08-31T09:29:02,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A
2025-08-31T09:29:02,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A
2025-08-31T09:29:02,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B
2025-08-31T09:29:02,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B
2025-08-31T09:29:02,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A
2025-08-31T09:29:02,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A
2025-08-31T09:29:02,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B
2025-08-31T09:29:02,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B
2025-08-31T09:29:02,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B
2025-08-31T09:29:02,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B
2025-08-31T09:29:02,949   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41
2025-08-31T09:29:02,950   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41
2025-08-31T09:29:02,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B
2025-08-31T09:29:02,954   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B
2025-08-31T09:29:02,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37
2025-08-31T09:29:02,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37
2025-08-31T09:29:02,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49
2025-08-31T09:29:02,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49
2025-08-31T09:29:02,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12
2025-08-31T09:29:02,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12
2025-08-31T09:29:02,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A
2025-08-31T09:29:02,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A
2025-08-31T09:29:02,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02
2025-08-31T09:29:02,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02
2025-08-31T09:29:02,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B
2025-08-31T09:29:02,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B
2025-08-31T09:29:02,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13
2025-08-31T09:29:02,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13
2025-08-31T09:29:02,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B
2025-08-31T09:29:02,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B
2025-08-31T09:29:02,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B
2025-08-31T09:29:02,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B
2025-08-31T09:29:02,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45
2025-08-31T09:29:02,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45
2025-08-31T09:29:02,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62
2025-08-31T09:29:02,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62
2025-08-31T09:29:02,997   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18
2025-08-31T09:29:02,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18
2025-08-31T09:29:03,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B
2025-08-31T09:29:03,002   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B
2025-08-31T09:29:03,004   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B
2025-08-31T09:29:03,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B
2025-08-31T09:29:03,008   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58
2025-08-31T09:29:03,009   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58
2025-08-31T09:29:03,012   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B
2025-08-31T09:29:03,013   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B
2025-08-31T09:29:03,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A
2025-08-31T09:29:03,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A
2025-08-31T09:29:03,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40
2025-08-31T09:29:03,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40
2025-08-31T09:29:03,023   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63
2025-08-31T09:29:03,024   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63
2025-08-31T09:29:03,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61
2025-08-31T09:29:03,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61
2025-08-31T09:29:03,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A
2025-08-31T09:29:03,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A
2025-08-31T09:29:03,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B
2025-08-31T09:29:03,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B
2025-08-31T09:29:03,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A
2025-08-31T09:29:03,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A
2025-08-31T09:29:03,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B
2025-08-31T09:29:03,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B
2025-08-31T09:29:03,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A
2025-08-31T09:29:03,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A
2025-08-31T09:29:03,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30
2025-08-31T09:29:03,050   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30
2025-08-31T09:29:03,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21
2025-08-31T09:29:03,054   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21
2025-08-31T09:29:03,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B
2025-08-31T09:29:03,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B
2025-08-31T09:29:03,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A
2025-08-31T09:29:03,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A
2025-08-31T09:29:03,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A
2025-08-31T09:29:03,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A
2025-08-31T09:29:03,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27
2025-08-31T09:29:03,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27
2025-08-31T09:29:03,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53
2025-08-31T09:29:03,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53
2025-08-31T09:29:03,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44
2025-08-31T09:29:03,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44
2025-08-31T09:29:03,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A
2025-08-31T09:29:03,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A
2025-08-31T09:29:03,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42
2025-08-31T09:29:03,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42
2025-08-31T09:29:03,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46
2025-08-31T09:29:03,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46
2025-08-31T09:29:03,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A
2025-08-31T09:29:03,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A
2025-08-31T09:29:03,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B
2025-08-31T09:29:03,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B
2025-08-31T09:29:03,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A
2025-08-31T09:29:03,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A
2025-08-31T09:29:03,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A
2025-08-31T09:29:03,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A
2025-08-31T09:29:03,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57
2025-08-31T09:29:03,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57
2025-08-31T09:29:03,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17
2025-08-31T09:29:03,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17
2025-08-31T09:29:03,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B
2025-08-31T09:29:03,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B
2025-08-31T09:29:03,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A
2025-08-31T09:29:03,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A
2025-08-31T09:29:03,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A
2025-08-31T09:29:03,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A
2025-08-31T09:29:03,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A
2025-08-31T09:29:03,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A
2025-08-31T09:29:03,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B
2025-08-31T09:29:03,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B
2025-08-31T09:29:03,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:29:03,132   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
2025-08-31T09:29:03,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5
2025-08-31T09:29:03,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5
2025-08-31T09:29:03,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3
2025-08-31T09:29:03,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3
2025-08-31T09:29:03,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:29:03,142   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
2025-08-31T09:29:03,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:29:03,146   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
2025-08-31T09:29:03,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:29:03,150   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
2025-08-31T09:29:03,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf
2025-08-31T09:29:03,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf
2025-08-31T09:29:03,156   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6
2025-08-31T09:29:03,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6
2025-08-31T09:29:03,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:03,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:03,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:29:03,165   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
2025-08-31T09:29:03,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:03,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:03,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:03,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:03,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:03,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:03,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:29:03,179   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
2025-08-31T09:29:03,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:29:03,182   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
2025-08-31T09:29:03,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:29:03,186   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
2025-08-31T09:29:03,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4
2025-08-31T09:29:03,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4
2025-08-31T09:29:03,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:03,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:03,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o
2025-08-31T09:29:03,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o
2025-08-31T09:29:03,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:29:03,200   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
2025-08-31T09:29:03,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:29:03,203   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
2025-08-31T09:29:03,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:29:03,207   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
2025-08-31T09:29:03,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:03,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:03,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:03,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:03,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2
2025-08-31T09:29:03,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2
2025-08-31T09:29:03,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:29:03,221   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
2025-08-31T09:29:03,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:29:03,225   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
2025-08-31T09:29:03,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:03,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:03,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3
2025-08-31T09:29:03,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3
2025-08-31T09:29:03,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+
2025-08-31T09:29:03,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+
2025-08-31T09:29:03,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:03,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:03,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+
2025-08-31T09:29:03,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+
2025-08-31T09:29:03,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43
2025-08-31T09:29:03,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43
2025-08-31T09:29:03,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48
2025-08-31T09:29:03,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48
2025-08-31T09:29:03,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11
2025-08-31T09:29:03,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11
2025-08-31T09:29:03,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:03,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:03,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n
2025-08-31T09:29:03,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n
2025-08-31T09:29:03,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li
2025-08-31T09:29:03,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li
2025-08-31T09:29:03,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:03,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:03,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+
2025-08-31T09:29:03,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+
2025-08-31T09:29:03,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:03,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:03,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h
2025-08-31T09:29:03,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h
2025-08-31T09:29:03,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20
2025-08-31T09:29:03,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20
2025-08-31T09:29:03,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:03,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:03,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s
2025-08-31T09:29:03,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s
2025-08-31T09:29:03,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8
2025-08-31T09:29:03,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8
2025-08-31T09:29:03,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si
2025-08-31T09:29:03,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si
2025-08-31T09:29:03,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na
2025-08-31T09:29:03,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na
2025-08-31T09:29:03,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg
2025-08-31T09:29:03,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg
2025-08-31T09:29:03,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+
2025-08-31T09:29:03,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+
2025-08-31T09:29:03,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:03,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:03,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14
2025-08-31T09:29:03,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14
2025-08-31T09:29:03,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:03,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:03,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34
2025-08-31T09:29:03,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34
2025-08-31T09:29:03,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o
2025-08-31T09:29:03,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o
2025-08-31T09:29:03,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22
2025-08-31T09:29:03,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22
2025-08-31T09:29:03,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:03,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:03,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+
2025-08-31T09:29:03,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+
2025-08-31T09:29:03,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51
2025-08-31T09:29:03,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51
2025-08-31T09:29:03,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:03,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:03,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:03,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:03,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+
2025-08-31T09:29:03,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+
2025-08-31T09:29:03,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be
2025-08-31T09:29:03,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be
2025-08-31T09:29:03,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+
2025-08-31T09:29:03,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+
2025-08-31T09:29:03,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:03,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:03,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p
2025-08-31T09:29:03,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p
2025-08-31T09:29:03,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:03,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:03,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c
2025-08-31T09:29:03,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c
2025-08-31T09:29:03,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19
2025-08-31T09:29:03,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19
2025-08-31T09:29:03,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b
2025-08-31T09:29:03,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b
2025-08-31T09:29:03,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25
2025-08-31T09:29:03,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25
2025-08-31T09:29:03,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+
2025-08-31T09:29:03,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+
2025-08-31T09:29:03,389   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:03,390   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:03,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26
2025-08-31T09:29:03,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26
2025-08-31T09:29:03,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl
2025-08-31T09:29:03,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl
2025-08-31T09:29:03,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f
2025-08-31T09:29:03,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f
2025-08-31T09:29:03,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:03,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:03,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+
2025-08-31T09:29:03,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+
2025-08-31T09:29:03,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:03,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:03,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137
2025-08-31T09:29:03,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137
2025-08-31T09:29:03,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:03,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:03,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+
2025-08-31T09:29:03,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+
2025-08-31T09:29:03,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+
2025-08-31T09:29:03,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+
2025-08-31T09:29:03,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:03,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:03,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+
2025-08-31T09:29:03,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+
2025-08-31T09:29:03,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37
2025-08-31T09:29:03,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37
2025-08-31T09:29:03,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12
2025-08-31T09:29:03,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12
2025-08-31T09:29:03,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13
2025-08-31T09:29:03,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13
2025-08-31T09:29:03,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+
2025-08-31T09:29:03,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+
2025-08-31T09:29:03,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45
2025-08-31T09:29:03,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45
2025-08-31T09:29:03,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al
2025-08-31T09:29:03,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al
2025-08-31T09:29:03,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:03,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:03,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18
2025-08-31T09:29:03,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18
2025-08-31T09:29:03,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:03,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:03,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:03,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:03,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:03,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:03,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30
2025-08-31T09:29:03,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30
2025-08-31T09:29:03,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:03,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:03,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44
2025-08-31T09:29:03,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44
2025-08-31T09:29:03,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+
2025-08-31T09:29:03,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+
2025-08-31T09:29:03,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7
2025-08-31T09:29:03,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7
2025-08-31T09:29:03,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2
2025-08-31T09:29:03,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2
2025-08-31T09:29:03,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1
2025-08-31T09:29:03,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1
2025-08-31T09:29:03,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11
2025-08-31T09:29:03,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11
2025-08-31T09:29:03,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4
2025-08-31T09:29:03,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4
2025-08-31T09:29:03,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10
2025-08-31T09:29:03,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10
2025-08-31T09:29:03,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3
2025-08-31T09:29:03,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3
2025-08-31T09:29:03,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4
2025-08-31T09:29:03,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4
2025-08-31T09:29:03,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15
2025-08-31T09:29:03,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15
2025-08-31T09:29:03,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6
2025-08-31T09:29:03,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6
2025-08-31T09:29:03,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1
2025-08-31T09:29:03,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1
2025-08-31T09:29:03,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8
2025-08-31T09:29:03,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8
2025-08-31T09:29:03,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12
2025-08-31T09:29:03,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12
2025-08-31T09:29:03,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14
2025-08-31T09:29:03,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14
2025-08-31T09:29:03,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13
2025-08-31T09:29:03,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13
2025-08-31T09:29:03,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9
2025-08-31T09:29:03,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9
2025-08-31T09:29:03,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3
2025-08-31T09:29:03,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3
2025-08-31T09:29:03,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5
2025-08-31T09:29:03,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5
2025-08-31T09:29:03,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2
2025-08-31T09:29:03,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2
2025-08-31T09:29:03,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42
2025-08-31T09:29:03,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42
2025-08-31T09:29:03,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:03,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:03,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1
2025-08-31T09:29:03,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1
2025-08-31T09:29:03,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0
2025-08-31T09:29:03,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0
2025-08-31T09:29:03,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0
2025-08-31T09:29:03,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0
2025-08-31T09:29:03,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:03,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:03,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2
2025-08-31T09:29:03,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2
2025-08-31T09:29:03,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:03,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:03,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:03,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:03,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:03,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:03,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2
2025-08-31T09:29:03,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2
2025-08-31T09:29:03,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0
2025-08-31T09:29:03,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0
2025-08-31T09:29:03,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:03,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:03,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:03,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:03,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:03,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:03,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:03,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:03,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0
2025-08-31T09:29:03,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0
2025-08-31T09:29:03,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1
2025-08-31T09:29:03,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1
2025-08-31T09:29:03,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:03,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:03,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2
2025-08-31T09:29:03,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2
2025-08-31T09:29:03,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4
2025-08-31T09:29:03,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4
2025-08-31T09:29:03,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2
2025-08-31T09:29:03,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2
2025-08-31T09:29:03,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:03,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:03,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3
2025-08-31T09:29:03,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3
2025-08-31T09:29:03,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3
2025-08-31T09:29:03,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3
2025-08-31T09:29:03,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2
2025-08-31T09:29:03,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2
2025-08-31T09:29:03,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41
2025-08-31T09:29:03,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41
2025-08-31T09:29:03,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1
2025-08-31T09:29:03,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1
2025-08-31T09:29:03,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0
2025-08-31T09:29:03,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0
2025-08-31T09:29:03,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3
2025-08-31T09:29:03,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3
2025-08-31T09:29:03,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:03,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:03,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:03,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:03,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:03,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:03,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:03,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:03,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:03,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:03,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:03,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:03,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:03,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:03,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:03,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:03,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:03,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:03,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:03,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:03,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:03,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:03,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:03,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:03,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:03,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:03,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470
2025-08-31T09:29:03,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470
2025-08-31T09:29:03,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691
2025-08-31T09:29:03,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691
2025-08-31T09:29:03,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:03,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:03,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224
2025-08-31T09:29:03,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224
2025-08-31T09:29:03,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:03,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:03,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366
2025-08-31T09:29:03,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366
2025-08-31T09:29:03,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300
2025-08-31T09:29:03,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300
2025-08-31T09:29:03,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:03,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:03,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:03,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:03,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412
2025-08-31T09:29:03,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412
2025-08-31T09:29:03,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99
2025-08-31T09:29:03,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99
2025-08-31T09:29:03,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:03,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:03,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357
2025-08-31T09:29:03,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357
2025-08-31T09:29:03,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:03,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:03,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:03,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:03,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114
2025-08-31T09:29:03,780   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114
2025-08-31T09:29:03,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:03,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:03,786   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444
2025-08-31T09:29:03,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444
2025-08-31T09:29:03,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:03,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:03,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:03,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:03,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215
2025-08-31T09:29:03,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215
2025-08-31T09:29:03,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:03,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:03,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:03,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:03,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:03,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:03,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:03,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:03,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:03,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:03,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:03,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:03,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:03,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:03,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:03,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:03,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:03,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:03,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:03,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:03,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:03,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:03,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be
2025-08-31T09:29:03,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be
2025-08-31T09:29:03,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:03,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:03,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:03,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:03,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:03,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:03,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:03,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:03,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:03,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:03,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:03,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:03,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:03,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:03,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:03,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:03,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn
2025-08-31T09:29:03,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn
2025-08-31T09:29:03,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:03,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:03,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:03,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:03,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf
2025-08-31T09:29:03,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf
2025-08-31T09:29:03,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo
2025-08-31T09:29:03,893   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
2025-08-31T09:29:03,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:03,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:03,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3
2025-08-31T09:29:03,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3
2025-08-31T09:29:03,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn
2025-08-31T09:29:03,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn
2025-08-31T09:29:03,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf
2025-08-31T09:29:03,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf
2025-08-31T09:29:03,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2
2025-08-31T09:29:03,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2
2025-08-31T09:29:03,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo
2025-08-31T09:29:03,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo
2025-08-31T09:29:03,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:29:03,919   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
2025-08-31T09:29:03,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf
2025-08-31T09:29:03,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf
2025-08-31T09:29:03,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o
2025-08-31T09:29:03,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o
2025-08-31T09:29:03,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:29:03,932   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
2025-08-31T09:29:03,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n
2025-08-31T09:29:03,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n
2025-08-31T09:29:03,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2
2025-08-31T09:29:03,939   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2
2025-08-31T09:29:03,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:29:03,943   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
2025-08-31T09:29:03,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco
2025-08-31T09:29:03,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco
2025-08-31T09:29:03,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:03,950   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:03,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc
2025-08-31T09:29:03,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc
2025-08-31T09:29:03,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:03,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:03,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2
2025-08-31T09:29:03,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2
2025-08-31T09:29:03,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4
2025-08-31T09:29:03,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4
2025-08-31T09:29:03,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio
2025-08-31T09:29:03,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio
2025-08-31T09:29:03,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o
2025-08-31T09:29:03,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o
2025-08-31T09:29:03,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:03,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:03,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs
2025-08-31T09:29:03,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs
2025-08-31T09:29:03,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h
2025-08-31T09:29:03,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h
2025-08-31T09:29:03,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:03,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:03,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo
2025-08-31T09:29:03,992   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
2025-08-31T09:29:03,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne
2025-08-31T09:29:03,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne
2025-08-31T09:29:03,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn
2025-08-31T09:29:03,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn
2025-08-31T09:29:04,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:29:04,003   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
2025-08-31T09:29:04,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s
2025-08-31T09:29:04,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s
2025-08-31T09:29:04,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si
2025-08-31T09:29:04,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si
2025-08-31T09:29:04,012   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:04,013   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:04,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc
2025-08-31T09:29:04,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc
2025-08-31T09:29:04,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3
2025-08-31T09:29:04,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3
2025-08-31T09:29:04,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs
2025-08-31T09:29:04,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs
2025-08-31T09:29:04,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf
2025-08-31T09:29:04,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf
2025-08-31T09:29:04,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo
2025-08-31T09:29:04,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo
2025-08-31T09:29:04,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco
2025-08-31T09:29:04,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco
2025-08-31T09:29:04,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf
2025-08-31T09:29:04,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf
2025-08-31T09:29:04,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:04,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:04,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic
2025-08-31T09:29:04,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic
2025-08-31T09:29:04,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh
2025-08-31T09:29:04,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh
2025-08-31T09:29:04,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co
2025-08-31T09:29:04,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co
2025-08-31T09:29:04,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o
2025-08-31T09:29:04,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o
2025-08-31T09:29:04,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh
2025-08-31T09:29:04,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh
2025-08-31T09:29:04,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4
2025-08-31T09:29:04,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4
2025-08-31T09:29:04,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2
2025-08-31T09:29:04,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2
2025-08-31T09:29:04,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf
2025-08-31T09:29:04,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf
2025-08-31T09:29:04,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4
2025-08-31T09:29:04,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4
2025-08-31T09:29:04,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh
2025-08-31T09:29:04,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh
2025-08-31T09:29:04,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:04,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:04,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf
2025-08-31T09:29:04,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf
2025-08-31T09:29:04,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2
2025-08-31T09:29:04,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2
2025-08-31T09:29:04,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch
2025-08-31T09:29:04,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch
2025-08-31T09:29:04,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so
2025-08-31T09:29:04,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so
2025-08-31T09:29:04,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof
2025-08-31T09:29:04,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof
2025-08-31T09:29:04,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:04,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:04,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3
2025-08-31T09:29:04,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3
2025-08-31T09:29:04,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h
2025-08-31T09:29:04,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h
2025-08-31T09:29:04,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:04,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:04,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2
2025-08-31T09:29:04,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2
2025-08-31T09:29:04,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be
2025-08-31T09:29:04,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be
2025-08-31T09:29:04,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof
2025-08-31T09:29:04,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof
2025-08-31T09:29:04,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:04,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:04,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo
2025-08-31T09:29:04,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo
2025-08-31T09:29:04,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3
2025-08-31T09:29:04,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3
2025-08-31T09:29:04,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p
2025-08-31T09:29:04,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p
2025-08-31T09:29:04,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic
2025-08-31T09:29:04,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic
2025-08-31T09:29:04,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif
2025-08-31T09:29:04,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif
2025-08-31T09:29:04,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c
2025-08-31T09:29:04,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c
2025-08-31T09:29:04,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2
2025-08-31T09:29:04,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2
2025-08-31T09:29:04,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:04,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:04,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene
2025-08-31T09:29:04,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene
2025-08-31T09:29:04,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol
2025-08-31T09:29:04,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol
2025-08-31T09:29:04,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3
2025-08-31T09:29:04,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3
2025-08-31T09:29:04,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:29:04,173   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
2025-08-31T09:29:04,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b
2025-08-31T09:29:04,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b
2025-08-31T09:29:04,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof
2025-08-31T09:29:04,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof
2025-08-31T09:29:04,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono
2025-08-31T09:29:04,184   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
2025-08-31T09:29:04,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:29:04,188   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
2025-08-31T09:29:04,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2
2025-08-31T09:29:04,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2
2025-08-31T09:29:04,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl
2025-08-31T09:29:04,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl
2025-08-31T09:29:04,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f
2025-08-31T09:29:04,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f
2025-08-31T09:29:04,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o
2025-08-31T09:29:04,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o
2025-08-31T09:29:04,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2
2025-08-31T09:29:04,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2
2025-08-31T09:29:04,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn
2025-08-31T09:29:04,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn
2025-08-31T09:29:04,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:04,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:04,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:04,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:04,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene
2025-08-31T09:29:04,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene
2025-08-31T09:29:04,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4
2025-08-31T09:29:04,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4
2025-08-31T09:29:04,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:04,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:04,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2
2025-08-31T09:29:04,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2
2025-08-31T09:29:04,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:29:04,235   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
2025-08-31T09:29:04,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl
2025-08-31T09:29:04,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl
2025-08-31T09:29:04,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo
2025-08-31T09:29:04,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo
2025-08-31T09:29:04,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2
2025-08-31T09:29:04,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2
2025-08-31T09:29:04,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:04,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:04,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:04,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:04,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh
2025-08-31T09:29:04,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh
2025-08-31T09:29:04,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2
2025-08-31T09:29:04,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2
2025-08-31T09:29:04,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh
2025-08-31T09:29:04,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh
2025-08-31T09:29:04,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl
2025-08-31T09:29:04,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl
2025-08-31T09:29:04,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s
2025-08-31T09:29:04,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s
2025-08-31T09:29:04,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3
2025-08-31T09:29:04,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3
2025-08-31T09:29:04,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:04,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:04,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:04,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:04,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane
2025-08-31T09:29:04,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane
2025-08-31T09:29:04,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch
2025-08-31T09:29:04,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch
2025-08-31T09:29:04,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs
2025-08-31T09:29:04,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs
2025-08-31T09:29:04,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:04,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:04,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:04,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:04,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2
2025-08-31T09:29:04,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2
2025-08-31T09:29:04,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3
2025-08-31T09:29:04,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3
2025-08-31T09:29:04,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2
2025-08-31T09:29:04,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2
2025-08-31T09:29:04,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih
2025-08-31T09:29:04,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih
2025-08-31T09:29:04,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co
2025-08-31T09:29:04,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co
2025-08-31T09:29:04,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:04,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:04,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al
2025-08-31T09:29:04,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al
2025-08-31T09:29:04,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2
2025-08-31T09:29:04,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2
2025-08-31T09:29:04,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3
2025-08-31T09:29:04,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3
2025-08-31T09:29:04,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:04,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:04,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2
2025-08-31T09:29:04,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2
2025-08-31T09:29:04,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4
2025-08-31T09:29:04,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4
2025-08-31T09:29:04,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn
2025-08-31T09:29:04,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn
2025-08-31T09:29:04,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono
2025-08-31T09:29:04,353   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
2025-08-31T09:29:04,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no
2025-08-31T09:29:04,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no
2025-08-31T09:29:04,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3
2025-08-31T09:29:04,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3
2025-08-31T09:29:04,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:04,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:04,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of
2025-08-31T09:29:04,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of
2025-08-31T09:29:04,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o
2025-08-31T09:29:04,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o
2025-08-31T09:29:04,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh
2025-08-31T09:29:04,374   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh
2025-08-31T09:29:04,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2
2025-08-31T09:29:04,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2
2025-08-31T09:29:04,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co
2025-08-31T09:29:04,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co
2025-08-31T09:29:04,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:04,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:04,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:04,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:04,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:04,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:04,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl
2025-08-31T09:29:04,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl
2025-08-31T09:29:04,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno
2025-08-31T09:29:04,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno
2025-08-31T09:29:04,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn
2025-08-31T09:29:04,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn
2025-08-31T09:29:04,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2
2025-08-31T09:29:04,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2
2025-08-31T09:29:04,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:04,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:04,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene
2025-08-31T09:29:04,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene
2025-08-31T09:29:04,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3
2025-08-31T09:29:04,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3
2025-08-31T09:29:04,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:04,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:04,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:04,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:04,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2
2025-08-31T09:29:04,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2
2025-08-31T09:29:04,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno
2025-08-31T09:29:04,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno
2025-08-31T09:29:04,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c
2025-08-31T09:29:04,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c
2025-08-31T09:29:04,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c
2025-08-31T09:29:04,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c
2025-08-31T09:29:04,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c
2025-08-31T09:29:04,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c
2025-08-31T09:29:04,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a
2025-08-31T09:29:04,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a
2025-08-31T09:29:04,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b
2025-08-31T09:29:04,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b
2025-08-31T09:29:04,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a
2025-08-31T09:29:04,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a
2025-08-31T09:29:04,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b
2025-08-31T09:29:04,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b
2025-08-31T09:29:04,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a
2025-08-31T09:29:04,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a
2025-08-31T09:29:04,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a
2025-08-31T09:29:04,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a
2025-08-31T09:29:04,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b
2025-08-31T09:29:04,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b
2025-08-31T09:29:04,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d
2025-08-31T09:29:04,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d
2025-08-31T09:29:04,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b
2025-08-31T09:29:04,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b
2025-08-31T09:29:04,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a
2025-08-31T09:29:04,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a
2025-08-31T09:29:04,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b
2025-08-31T09:29:04,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b
2025-08-31T09:29:04,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a
2025-08-31T09:29:04,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a
2025-08-31T09:29:04,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b
2025-08-31T09:29:04,488   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b
2025-08-31T09:29:04,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b
2025-08-31T09:29:04,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b
2025-08-31T09:29:04,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b
2025-08-31T09:29:04,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b
2025-08-31T09:29:04,498   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a
2025-08-31T09:29:04,499   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a
2025-08-31T09:29:04,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a
2025-08-31T09:29:04,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a
2025-08-31T09:29:04,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a
2025-08-31T09:29:04,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a
2025-08-31T09:29:04,509   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b
2025-08-31T09:29:04,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b
2025-08-31T09:29:04,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a
2025-08-31T09:29:04,514   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a
2025-08-31T09:29:04,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d
2025-08-31T09:29:04,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d
2025-08-31T09:29:04,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b
2025-08-31T09:29:04,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b
2025-08-31T09:29:04,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04
2025-08-31T09:29:04,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04
2025-08-31T09:29:04,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23
2025-08-31T09:29:04,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23
2025-08-31T09:29:04,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43
2025-08-31T09:29:04,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43
2025-08-31T09:29:04,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11
2025-08-31T09:29:04,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11
2025-08-31T09:29:04,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:04,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:04,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:04,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:04,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31
2025-08-31T09:29:04,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31
2025-08-31T09:29:04,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15
2025-08-31T09:29:04,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15
2025-08-31T09:29:04,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09
2025-08-31T09:29:04,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09
2025-08-31T09:29:04,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20
2025-08-31T09:29:04,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20
2025-08-31T09:29:04,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36
2025-08-31T09:29:04,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36
2025-08-31T09:29:04,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01
2025-08-31T09:29:04,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01
2025-08-31T09:29:04,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06
2025-08-31T09:29:04,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06
2025-08-31T09:29:04,573   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32
2025-08-31T09:29:04,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32
2025-08-31T09:29:04,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39
2025-08-31T09:29:04,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39
2025-08-31T09:29:04,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:04,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:04,584   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2
2025-08-31T09:29:04,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2
2025-08-31T09:29:04,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:04,589   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:04,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14
2025-08-31T09:29:04,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14
2025-08-31T09:29:04,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:04,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:04,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34
2025-08-31T09:29:04,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34
2025-08-31T09:29:04,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:04,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:04,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38
2025-08-31T09:29:04,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38
2025-08-31T09:29:04,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22
2025-08-31T09:29:04,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22
2025-08-31T09:29:04,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2
2025-08-31T09:29:04,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2
2025-08-31T09:29:04,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2
2025-08-31T09:29:04,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2
2025-08-31T09:29:04,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:04,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:04,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07
2025-08-31T09:29:04,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07
2025-08-31T09:29:04,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2
2025-08-31T09:29:04,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2
2025-08-31T09:29:04,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29
2025-08-31T09:29:04,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29
2025-08-31T09:29:04,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19
2025-08-31T09:29:04,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19
2025-08-31T09:29:04,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24
2025-08-31T09:29:04,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24
2025-08-31T09:29:04,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33
2025-08-31T09:29:04,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33
2025-08-31T09:29:04,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25
2025-08-31T09:29:04,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25
2025-08-31T09:29:04,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28
2025-08-31T09:29:04,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28
2025-08-31T09:29:04,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35
2025-08-31T09:29:04,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35
2025-08-31T09:29:04,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16
2025-08-31T09:29:04,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16
2025-08-31T09:29:04,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26
2025-08-31T09:29:04,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26
2025-08-31T09:29:04,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03
2025-08-31T09:29:04,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03
2025-08-31T09:29:04,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05
2025-08-31T09:29:04,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05
2025-08-31T09:29:04,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2
2025-08-31T09:29:04,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2
2025-08-31T09:29:04,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08
2025-08-31T09:29:04,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08
2025-08-31T09:29:04,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10
2025-08-31T09:29:04,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10
2025-08-31T09:29:04,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41
2025-08-31T09:29:04,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41
2025-08-31T09:29:04,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:04,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:04,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37
2025-08-31T09:29:04,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37
2025-08-31T09:29:04,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12
2025-08-31T09:29:04,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12
2025-08-31T09:29:04,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02
2025-08-31T09:29:04,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02
2025-08-31T09:29:04,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13
2025-08-31T09:29:04,703   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13
2025-08-31T09:29:04,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18
2025-08-31T09:29:04,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18
2025-08-31T09:29:04,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40
2025-08-31T09:29:04,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40
2025-08-31T09:29:04,713   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2
2025-08-31T09:29:04,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2
2025-08-31T09:29:04,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30
2025-08-31T09:29:04,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30
2025-08-31T09:29:04,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21
2025-08-31T09:29:04,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21
2025-08-31T09:29:04,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27
2025-08-31T09:29:04,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27
2025-08-31T09:29:04,728   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:04,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:04,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42
2025-08-31T09:29:04,733   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42
2025-08-31T09:29:04,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17
2025-08-31T09:29:04,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17
2025-08-31T09:29:04,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:04,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:04,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:04,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:04,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:04,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:04,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:04,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:04,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:04,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:04,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:04,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:04,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:04,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:04,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:04,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:04,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:04,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:04,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h
2025-08-31T09:29:04,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h
2025-08-31T09:29:04,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:04,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:04,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:04,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:04,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:04,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:04,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:04,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:04,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:04,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:04,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:04,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:04,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:04,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:04,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:04,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:04,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:04,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:04,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf
2025-08-31T09:29:04,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf
2025-08-31T09:29:04,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:04,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:04,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco
2025-08-31T09:29:04,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco
2025-08-31T09:29:04,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:04,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:04,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:04,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:04,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh
2025-08-31T09:29:04,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh
2025-08-31T09:29:04,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:04,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:04,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:04,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:04,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:04,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:04,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf
2025-08-31T09:29:04,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf
2025-08-31T09:29:04,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2
2025-08-31T09:29:04,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2
2025-08-31T09:29:04,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2
2025-08-31T09:29:04,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2
2025-08-31T09:29:04,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:04,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:04,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:04,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:04,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:04,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:04,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:04,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:04,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:04,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:04,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:04,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:04,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:04,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:04,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:04,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:04,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:04,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:04,886   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl
2025-08-31T09:29:04,887   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl
2025-08-31T09:29:04,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f
2025-08-31T09:29:04,891   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f
2025-08-31T09:29:04,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:04,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:04,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:04,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:04,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:04,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:04,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:04,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:04,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:04,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:04,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:04,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:04,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:04,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:04,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:04,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:04,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:04,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:04,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:04,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:04,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:04,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:04,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:04,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:04,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O
2025-08-31T09:29:04,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O
2025-08-31T09:29:04,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:04,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:04,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:04,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:04,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:04,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:04,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:04,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:04,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:04,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:04,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:04,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:04,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS
2025-08-31T09:29:04,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS
2025-08-31T09:29:04,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:04,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:04,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:04,971   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:04,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:04,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:04,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2
2025-08-31T09:29:04,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2
2025-08-31T09:29:04,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:04,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:04,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:04,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:04,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:04,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:04,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:04,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:04,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH
2025-08-31T09:29:04,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH
2025-08-31T09:29:05,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:05,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:05,004   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co
2025-08-31T09:29:05,005   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co
2025-08-31T09:29:05,008   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:05,009   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:05,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:05,013   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:05,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:05,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:05,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:05,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:05,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:05,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:05,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:05,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:05,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:05,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:05,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:05,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:05,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:05,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:05,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:05,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:05,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:05,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:05,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:05,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:05,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-
2025-08-31T09:29:05,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-
2025-08-31T09:29:05,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:05,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:05,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:05,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:05,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:05,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:05,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:05,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:05,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:05,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:05,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:05,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:05,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:05,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:05,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:05,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:05,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:05,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:05,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:05,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:05,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:05,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:05,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:05,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:05,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:05,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:05,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:05,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:05,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:05,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:05,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:05,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:05,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:05,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:05,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:05,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:05,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:05,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:05,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:05,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:05,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:05,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:05,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:05,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:05,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:05,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:05,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:05,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:05,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:05,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:05,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:05,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:05,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:05,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:05,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:05,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:05,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:05,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:05,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:05,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:05,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:05,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:05,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:05,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:05,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:05,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:05,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:05,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:05,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:05,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:05,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:05,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:05,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:05,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:05,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:05,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:05,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:05,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:05,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:05,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:05,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:05,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:05,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:05,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:05,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:05,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:05,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:05,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:05,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:05,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:05,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:05,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:05,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:05,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:05,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:05,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:05,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:05,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:05,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:05,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:05,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:05,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:05,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:05,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:05,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:05,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:05,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:05,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:05,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:05,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:05,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:05,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:05,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:05,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:05,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:05,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:05,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:05,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:05,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:05,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:05,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:05,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:05,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:05,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:05,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:05,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:05,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:05,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:05,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:05,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:05,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:05,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:05,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:05,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:05,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:05,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:05,313   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:05,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:05,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:05,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:05,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:05,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:05,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:05,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:05,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:05,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:05,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:05,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:05,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:05,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:05,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:05,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:05,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:05,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:05,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:05,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:05,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:05,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:05,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:05,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:05,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:05,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:05,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:05,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:05,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:05,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:05,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:05,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:05,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:05,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:05,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:05,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:05,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:05,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:05,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:05,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:05,389   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:05,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:05,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:05,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:05,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:05,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:05,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:05,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:05,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:05,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:05,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:05,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:05,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:05,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:05,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:05,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:05,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:05,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:05,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:05,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:05,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:05,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:05,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:05,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:05,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49
2025-08-31T09:29:05,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49
2025-08-31T09:29:05,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40
2025-08-31T09:29:05,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40
2025-08-31T09:29:05,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51
2025-08-31T09:29:05,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51
2025-08-31T09:29:05,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40
2025-08-31T09:29:05,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40
2025-08-31T09:29:05,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25
2025-08-31T09:29:05,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25
2025-08-31T09:29:05,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45
2025-08-31T09:29:05,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45
2025-08-31T09:29:05,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44
2025-08-31T09:29:05,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44
2025-08-31T09:29:05,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57
2025-08-31T09:29:05,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57
2025-08-31T09:29:05,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48
2025-08-31T09:29:05,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48
2025-08-31T09:29:05,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22
2025-08-31T09:29:05,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22
2025-08-31T09:29:05,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47
2025-08-31T09:29:05,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47
2025-08-31T09:29:05,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26
2025-08-31T09:29:05,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26
2025-08-31T09:29:05,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43
2025-08-31T09:29:05,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43
2025-08-31T09:29:05,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52
2025-08-31T09:29:05,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52
2025-08-31T09:29:05,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25
2025-08-31T09:29:05,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25
2025-08-31T09:29:05,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20
2025-08-31T09:29:05,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20
2025-08-31T09:29:05,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29
2025-08-31T09:29:05,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29
2025-08-31T09:29:05,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21
2025-08-31T09:29:05,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21
2025-08-31T09:29:05,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47
2025-08-31T09:29:05,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47
2025-08-31T09:29:05,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56
2025-08-31T09:29:05,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56
2025-08-31T09:29:05,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51
2025-08-31T09:29:05,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51
2025-08-31T09:29:05,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49
2025-08-31T09:29:05,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49
2025-08-31T09:29:05,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20
2025-08-31T09:29:05,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20
2025-08-31T09:29:05,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44
2025-08-31T09:29:05,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44
2025-08-31T09:29:05,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52
2025-08-31T09:29:05,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52
2025-08-31T09:29:05,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26
2025-08-31T09:29:05,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26
2025-08-31T09:29:05,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46
2025-08-31T09:29:05,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46
2025-08-31T09:29:05,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48
2025-08-31T09:29:05,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48
2025-08-31T09:29:05,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43
2025-08-31T09:29:05,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43
2025-08-31T09:29:05,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46
2025-08-31T09:29:05,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46
2025-08-31T09:29:05,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56
2025-08-31T09:29:05,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56
2025-08-31T09:29:05,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60
2025-08-31T09:29:05,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60
2025-08-31T09:29:05,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28
2025-08-31T09:29:05,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28
2025-08-31T09:29:05,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60
2025-08-31T09:29:05,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60
2025-08-31T09:29:05,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45
2025-08-31T09:29:05,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45
2025-08-31T09:29:05,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22
2025-08-31T09:29:05,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22
2025-08-31T09:29:05,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:05,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:05,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:05,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:05,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:05,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:05,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:05,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:05,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:05,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:05,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:05,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:05,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:05,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:05,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:05,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:05,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:05,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:05,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:05,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:05,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:05,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:05,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:05,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:05,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:05,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:05,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:05,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:05,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:05,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:05,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:05,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:05,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:05,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:05,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:05,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:05,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:05,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:05,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:05,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:05,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:05,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:05,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:05,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:05,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:05,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:05,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:05,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:05,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:05,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:05,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:05,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:05,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:05,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:05,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:05,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:05,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:05,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:05,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:05,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:05,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:05,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:05,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:05,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:05,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:05,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:05,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:05,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:05,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:05,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:05,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:05,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:05,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:05,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:05,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:05,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:05,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:05,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:05,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:05,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:05,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:05,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:05,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:05,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:05,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:05,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:05,725   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:05,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:05,729   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:05,730   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:05,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:05,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:05,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:05,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:05,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:05,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:05,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:05,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:05,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:05,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:05,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:05,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:05,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:05,757   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
2025-08-31T09:29:05,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:05,761   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
2025-08-31T09:29:05,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:05,764   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
2025-08-31T09:29:05,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:05,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:05,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:05,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:05,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:05,775   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
2025-08-31T09:29:05,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:05,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:05,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:05,783   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
2025-08-31T09:29:05,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:05,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:05,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:05,790   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
2025-08-31T09:29:05,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:05,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:05,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:05,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:05,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:05,802   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
2025-08-31T09:29:05,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:05,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:05,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:05,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:05,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:05,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:05,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:05,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:05,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS
2025-08-31T09:29:05,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS
2025-08-31T09:29:05,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:05,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:05,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:05,827   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
2025-08-31T09:29:05,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:05,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:05,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:05,835   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
2025-08-31T09:29:05,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:05,839   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
2025-08-31T09:29:05,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:05,843   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
2025-08-31T09:29:05,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:05,847   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
2025-08-31T09:29:05,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:05,851   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
2025-08-31T09:29:05,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl
2025-08-31T09:29:05,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl
2025-08-31T09:29:05,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:05,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:05,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:05,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:05,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:05,866   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
2025-08-31T09:29:05,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:05,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:05,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:05,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:05,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:05,877   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
2025-08-31T09:29:05,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:05,881   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
2025-08-31T09:29:05,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:05,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:05,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:05,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:05,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:05,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:05,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:05,896   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
2025-08-31T09:29:05,898   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:05,899   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
2025-08-31T09:29:05,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:05,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:05,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI
2025-08-31T09:29:05,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI
2025-08-31T09:29:05,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:05,911   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
2025-08-31T09:29:05,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:05,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:05,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:05,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:05,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:05,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:05,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:05,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:05,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:05,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:05,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:05,932   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
2025-08-31T09:29:05,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:05,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:05,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:05,940   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
2025-08-31T09:29:05,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr
2025-08-31T09:29:05,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr
2025-08-31T09:29:05,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:05,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:05,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:05,951   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
2025-08-31T09:29:05,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:05,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:05,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:05,959   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
2025-08-31T09:29:05,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:05,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:05,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:05,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:05,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:05,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:05,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:05,974   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
2025-08-31T09:29:05,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:05,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:05,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI
2025-08-31T09:29:05,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI
2025-08-31T09:29:05,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr
2025-08-31T09:29:05,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr
2025-08-31T09:29:05,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:05,989   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
2025-08-31T09:29:05,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3
2025-08-31T09:29:05,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3
2025-08-31T09:29:05,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:05,996   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
2025-08-31T09:29:05,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:06,000   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
2025-08-31T09:29:06,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI
2025-08-31T09:29:06,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI
2025-08-31T09:29:06,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH
2025-08-31T09:29:06,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH
2025-08-31T09:29:06,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:06,011   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
2025-08-31T09:29:06,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:06,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:06,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:06,019   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
2025-08-31T09:29:06,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe
2025-08-31T09:29:06,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe
2025-08-31T09:29:06,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:06,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:06,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:06,029   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
2025-08-31T09:29:06,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:06,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:06,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:06,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:06,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:06,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:06,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:06,044   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
2025-08-31T09:29:06,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:06,047   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
2025-08-31T09:29:06,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:06,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:06,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:06,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:06,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:06,059   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
2025-08-31T09:29:06,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:06,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:06,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:06,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:06,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:06,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:06,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:06,074   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
2025-08-31T09:29:06,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:06,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:06,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:06,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:06,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:06,085   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
2025-08-31T09:29:06,087   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:06,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:06,091   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:06,092   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
2025-08-31T09:29:06,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:06,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:06,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:06,100   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
2025-08-31T09:29:06,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:06,103   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
2025-08-31T09:29:06,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:06,107   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
2025-08-31T09:29:06,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:06,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:06,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS
2025-08-31T09:29:06,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS
2025-08-31T09:29:06,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH
2025-08-31T09:29:06,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH
2025-08-31T09:29:06,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:06,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:06,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:06,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:06,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:06,347   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
2025-08-31T09:29:06,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:06,351   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
2025-08-31T09:29:06,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:06,356   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
2025-08-31T09:29:06,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:06,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:06,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:06,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:06,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:06,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:06,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:06,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:06,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:06,378   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:06,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:06,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:06,384   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:06,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:06,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:06,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:06,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:06,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:06,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:06,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:06,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:06,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:06,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:06,403   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:06,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:06,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:06,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:06,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:06,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:06,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:06,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:06,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:06,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:06,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:06,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:06,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:06,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:06,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:06,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:06,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:06,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:06,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:06,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:06,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:06,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:06,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:06,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:06,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:06,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:06,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:06,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:06,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:06,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:06,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:06,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:06,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:06,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:06,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:06,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29
2025-08-31T09:29:06,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29
2025-08-31T09:29:06,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28
2025-08-31T09:29:06,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28
2025-08-31T09:29:06,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20
2025-08-31T09:29:06,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20
2025-08-31T09:29:06,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9
2025-08-31T09:29:06,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9
2025-08-31T09:29:06,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33
2025-08-31T09:29:06,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33
2025-08-31T09:29:06,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24
2025-08-31T09:29:06,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24
2025-08-31T09:29:06,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11
2025-08-31T09:29:06,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11
2025-08-31T09:29:06,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15
2025-08-31T09:29:06,495   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15
2025-08-31T09:29:06,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16
2025-08-31T09:29:06,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16
2025-08-31T09:29:06,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19
2025-08-31T09:29:06,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19
2025-08-31T09:29:06,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32
2025-08-31T09:29:06,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32
2025-08-31T09:29:06,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8
2025-08-31T09:29:06,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8
2025-08-31T09:29:06,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34
2025-08-31T09:29:06,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34
2025-08-31T09:29:06,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7
2025-08-31T09:29:06,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7
2025-08-31T09:29:06,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24
2025-08-31T09:29:06,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24
2025-08-31T09:29:06,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17
2025-08-31T09:29:06,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17
2025-08-31T09:29:06,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12
2025-08-31T09:29:06,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12
2025-08-31T09:29:06,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21
2025-08-31T09:29:06,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21
2025-08-31T09:29:06,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25
2025-08-31T09:29:06,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25
2025-08-31T09:29:06,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1
2025-08-31T09:29:06,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1
2025-08-31T09:29:06,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23
2025-08-31T09:29:06,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23
2025-08-31T09:29:06,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13
2025-08-31T09:29:06,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13
2025-08-31T09:29:06,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4
2025-08-31T09:29:06,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4
2025-08-31T09:29:06,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13
2025-08-31T09:29:06,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13
2025-08-31T09:29:06,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33
2025-08-31T09:29:06,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33
2025-08-31T09:29:06,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15
2025-08-31T09:29:06,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15
2025-08-31T09:29:06,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31
2025-08-31T09:29:06,564   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31
2025-08-31T09:29:06,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3
2025-08-31T09:29:06,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3
2025-08-31T09:29:06,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31
2025-08-31T09:29:06,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31
2025-08-31T09:29:06,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22
2025-08-31T09:29:06,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22
2025-08-31T09:29:06,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30
2025-08-31T09:29:06,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30
2025-08-31T09:29:06,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6
2025-08-31T09:29:06,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6
2025-08-31T09:29:06,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23
2025-08-31T09:29:06,586   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23
2025-08-31T09:29:06,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10
2025-08-31T09:29:06,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10
2025-08-31T09:29:06,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4
2025-08-31T09:29:06,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4
2025-08-31T09:29:06,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8
2025-08-31T09:29:06,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8
2025-08-31T09:29:06,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14
2025-08-31T09:29:06,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14
2025-08-31T09:29:06,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16
2025-08-31T09:29:06,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16
2025-08-31T09:29:06,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28
2025-08-31T09:29:06,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28
2025-08-31T09:29:06,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18
2025-08-31T09:29:06,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18
2025-08-31T09:29:06,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2
2025-08-31T09:29:06,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2
2025-08-31T09:29:06,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32
2025-08-31T09:29:06,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32
2025-08-31T09:29:06,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20
2025-08-31T09:29:06,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20
2025-08-31T09:29:06,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3
2025-08-31T09:29:06,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3
2025-08-31T09:29:06,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27
2025-08-31T09:29:06,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27
2025-08-31T09:29:06,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11
2025-08-31T09:29:06,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11
2025-08-31T09:29:06,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14
2025-08-31T09:29:06,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14
2025-08-31T09:29:06,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26
2025-08-31T09:29:06,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26
2025-08-31T09:29:06,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26
2025-08-31T09:29:06,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26
2025-08-31T09:29:06,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21
2025-08-31T09:29:06,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21
2025-08-31T09:29:06,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18
2025-08-31T09:29:06,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18
2025-08-31T09:29:06,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5
2025-08-31T09:29:06,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5
2025-08-31T09:29:06,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9
2025-08-31T09:29:06,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9
2025-08-31T09:29:06,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1
2025-08-31T09:29:06,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1
2025-08-31T09:29:06,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7
2025-08-31T09:29:06,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7
2025-08-31T09:29:06,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29
2025-08-31T09:29:06,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29
2025-08-31T09:29:06,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17
2025-08-31T09:29:06,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17
2025-08-31T09:29:06,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12
2025-08-31T09:29:06,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12
2025-08-31T09:29:06,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34
2025-08-31T09:29:06,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34
2025-08-31T09:29:06,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10
2025-08-31T09:29:06,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10
2025-08-31T09:29:06,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27
2025-08-31T09:29:06,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27
2025-08-31T09:29:06,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25
2025-08-31T09:29:06,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25
2025-08-31T09:29:06,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30
2025-08-31T09:29:06,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30
2025-08-31T09:29:06,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2
2025-08-31T09:29:06,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2
2025-08-31T09:29:06,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:06,702   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
2025-08-31T09:29:06,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:06,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:06,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip
2025-08-31T09:29:06,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip
2025-08-31T09:29:06,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8
2025-08-31T09:29:06,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8
2025-08-31T09:29:06,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb
2025-08-31T09:29:06,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb
2025-08-31T09:29:06,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:06,721   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:06,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen
2025-08-31T09:29:06,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen
2025-08-31T09:29:06,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:06,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:06,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:06,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:06,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:06,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:06,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:06,739   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
2025-08-31T09:29:06,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3
2025-08-31T09:29:06,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3
2025-08-31T09:29:06,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be
2025-08-31T09:29:06,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be
2025-08-31T09:29:06,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:06,750   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
2025-08-31T09:29:06,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen
2025-08-31T09:29:06,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen
2025-08-31T09:29:06,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:06,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:06,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:06,761   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
2025-08-31T09:29:06,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:06,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:06,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4
2025-08-31T09:29:06,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4
2025-08-31T09:29:06,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2
2025-08-31T09:29:06,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2
2025-08-31T09:29:06,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:06,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:06,779   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:06,780   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:06,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4
2025-08-31T09:29:06,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4
2025-08-31T09:29:06,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6
2025-08-31T09:29:06,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6
2025-08-31T09:29:06,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL
2025-08-31T09:29:06,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL
2025-08-31T09:29:06,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage
2025-08-31T09:29:06,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage
2025-08-31T09:29:06,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2
2025-08-31T09:29:06,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2
2025-08-31T09:29:06,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:06,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:06,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:06,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:06,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2
2025-08-31T09:29:06,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2
2025-08-31T09:29:06,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:06,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:06,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p
2025-08-31T09:29:06,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p
2025-08-31T09:29:06,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp
2025-08-31T09:29:06,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp
2025-08-31T09:29:06,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp
2025-08-31T09:29:06,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp
2025-08-31T09:29:06,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6
2025-08-31T09:29:06,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6
2025-08-31T09:29:06,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp
2025-08-31T09:29:06,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp
2025-08-31T09:29:06,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:06,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:06,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s
2025-08-31T09:29:06,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s
2025-08-31T09:29:06,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4
2025-08-31T09:29:06,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4
2025-08-31T09:29:06,845   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass
2025-08-31T09:29:06,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass
2025-08-31T09:29:06,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6
2025-08-31T09:29:06,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6
2025-08-31T09:29:06,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap
2025-08-31T09:29:06,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap
2025-08-31T09:29:06,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G
2025-08-31T09:29:06,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G
2025-08-31T09:29:06,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly
2025-08-31T09:29:06,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly
2025-08-31T09:29:06,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp
2025-08-31T09:29:06,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp
2025-08-31T09:29:06,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp
2025-08-31T09:29:06,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp
2025-08-31T09:29:06,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp
2025-08-31T09:29:06,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp
2025-08-31T09:29:06,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op
2025-08-31T09:29:06,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op
2025-08-31T09:29:06,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys
2025-08-31T09:29:06,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys
2025-08-31T09:29:06,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:06,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:06,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8
2025-08-31T09:29:06,887   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8
2025-08-31T09:29:06,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p
2025-08-31T09:29:06,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p
2025-08-31T09:29:06,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol
2025-08-31T09:29:06,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol
2025-08-31T09:29:06,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:06,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:06,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T
2025-08-31T09:29:06,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T
2025-08-31T09:29:06,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p
2025-08-31T09:29:06,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p
2025-08-31T09:29:06,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:06,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:06,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p
2025-08-31T09:29:06,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p
2025-08-31T09:29:06,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p
2025-08-31T09:29:06,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p
2025-08-31T09:29:06,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:06,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:06,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o
2025-08-31T09:29:06,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o
2025-08-31T09:29:06,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4
2025-08-31T09:29:06,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4
2025-08-31T09:29:06,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:06,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:06,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p
2025-08-31T09:29:06,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p
2025-08-31T09:29:06,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s
2025-08-31T09:29:06,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s
2025-08-31T09:29:06,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:06,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:06,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3
2025-08-31T09:29:06,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3
2025-08-31T09:29:06,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp
2025-08-31T09:29:06,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp
2025-08-31T09:29:06,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A
2025-08-31T09:29:06,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A
2025-08-31T09:29:06,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C
2025-08-31T09:29:06,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C
2025-08-31T09:29:06,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6
2025-08-31T09:29:06,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6
2025-08-31T09:29:06,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2
2025-08-31T09:29:06,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2
2025-08-31T09:29:06,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp
2025-08-31T09:29:06,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp
2025-08-31T09:29:06,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2
2025-08-31T09:29:06,971   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2
2025-08-31T09:29:06,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p
2025-08-31T09:29:06,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p
2025-08-31T09:29:06,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:06,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:06,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl
2025-08-31T09:29:06,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl
2025-08-31T09:29:06,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p
2025-08-31T09:29:06,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p
2025-08-31T09:29:06,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol
2025-08-31T09:29:06,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol
2025-08-31T09:29:06,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp
2025-08-31T09:29:06,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp
2025-08-31T09:29:06,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3
2025-08-31T09:29:06,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3
2025-08-31T09:29:06,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:07,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:07,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:07,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:07,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:07,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:07,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:07,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:07,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:07,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:07,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:07,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:07,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:07,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:07,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:07,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:07,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:07,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:07,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:07,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:07,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:07,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:07,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:07,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:07,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:07,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:07,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:07,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:07,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:07,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:07,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:07,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:07,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:07,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:07,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:07,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:07,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:07,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:07,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:07,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:07,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:07,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:07,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:07,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:07,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:07,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:07,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:07,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:07,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:07,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:07,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:07,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:07,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:07,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:07,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:07,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:07,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:07,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:07,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:07,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:07,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:07,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:07,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:07,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:07,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:07,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:07,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:07,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:07,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:07,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:07,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:07,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:07,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:07,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:07,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:07,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:07,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:07,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:07,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:07,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:07,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:07,149   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
2025-08-31T09:29:07,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:07,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:07,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:07,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:07,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO
2025-08-31T09:29:07,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO
2025-08-31T09:29:07,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO
2025-08-31T09:29:07,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO
2025-08-31T09:29:07,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:07,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:07,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:07,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:07,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:07,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:07,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:07,178   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
2025-08-31T09:29:07,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:07,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:07,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2
2025-08-31T09:29:07,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2
2025-08-31T09:29:07,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2
2025-08-31T09:29:07,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2
2025-08-31T09:29:07,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:07,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:07,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:07,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:07,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:07,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:07,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:07,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:07,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:07,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:07,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:07,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:07,214   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol
2025-08-31T09:29:07,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol
2025-08-31T09:29:07,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:07,219   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
2025-08-31T09:29:07,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:07,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:07,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:07,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:07,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:07,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:07,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:07,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:07,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:07,237   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
2025-08-31T09:29:07,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:07,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:07,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:07,244   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
2025-08-31T09:29:07,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:07,247   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
2025-08-31T09:29:07,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:07,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:07,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene
2025-08-31T09:29:07,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene
2025-08-31T09:29:07,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:07,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:07,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:07,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:07,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:07,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:07,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:07,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:07,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:07,273   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
2025-08-31T09:29:07,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:07,277   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
2025-08-31T09:29:07,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:07,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:07,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:07,285   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
2025-08-31T09:29:07,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2
2025-08-31T09:29:07,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2
2025-08-31T09:29:07,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:07,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:07,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:07,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:07,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:07,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:07,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione
2025-08-31T09:29:07,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione
2025-08-31T09:29:07,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:07,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:07,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:07,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:07,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:07,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:07,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2
2025-08-31T09:29:07,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2
2025-08-31T09:29:07,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:07,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:07,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:07,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:07,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:07,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:07,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:07,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:07,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol
2025-08-31T09:29:07,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol
2025-08-31T09:29:07,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:07,340   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
2025-08-31T09:29:07,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:07,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:07,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne
2025-08-31T09:29:07,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne
2025-08-31T09:29:07,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:07,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:07,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:07,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:07,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol
2025-08-31T09:29:07,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol
2025-08-31T09:29:07,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:07,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:07,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:07,366   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
2025-08-31T09:29:07,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3
2025-08-31T09:29:07,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3
2025-08-31T09:29:07,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2
2025-08-31T09:29:07,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2
2025-08-31T09:29:07,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:07,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:07,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:07,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:07,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S
2025-08-31T09:29:07,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S
2025-08-31T09:29:07,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene
2025-08-31T09:29:07,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene
2025-08-31T09:29:07,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:07,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:07,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene
2025-08-31T09:29:07,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene
2025-08-31T09:29:07,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:07,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:07,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:07,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:07,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:07,407   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:07,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:07,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:07,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:07,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:07,417   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:07,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:07,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:07,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:07,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:07,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:07,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:07,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:07,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN
2025-08-31T09:29:07,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN
2025-08-31T09:29:07,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:07,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:07,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl
2025-08-31T09:29:07,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl
2025-08-31T09:29:07,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:07,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:07,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:07,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:07,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:07,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:07,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:07,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:07,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O
2025-08-31T09:29:07,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O
2025-08-31T09:29:07,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:07,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:07,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:07,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:07,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne
2025-08-31T09:29:07,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne
2025-08-31T09:29:07,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6
2025-08-31T09:29:07,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6
2025-08-31T09:29:07,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2
2025-08-31T09:29:07,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2
2025-08-31T09:29:07,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe
2025-08-31T09:29:07,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe
2025-08-31T09:29:07,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:07,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:07,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe
2025-08-31T09:29:07,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe
2025-08-31T09:29:07,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr
2025-08-31T09:29:07,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr
2025-08-31T09:29:07,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:07,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:07,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf
2025-08-31T09:29:07,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf
2025-08-31T09:29:07,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3
2025-08-31T09:29:07,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3
2025-08-31T09:29:07,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4
2025-08-31T09:29:07,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4
2025-08-31T09:29:07,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz
2025-08-31T09:29:07,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz
2025-08-31T09:29:07,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4
2025-08-31T09:29:07,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4
2025-08-31T09:29:07,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr
2025-08-31T09:29:07,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr
2025-08-31T09:29:07,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3
2025-08-31T09:29:07,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3
2025-08-31T09:29:07,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3
2025-08-31T09:29:07,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3
2025-08-31T09:29:07,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2
2025-08-31T09:29:07,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2
2025-08-31T09:29:07,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2
2025-08-31T09:29:07,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2
2025-08-31T09:29:07,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:07,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:07,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6
2025-08-31T09:29:07,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6
2025-08-31T09:29:07,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr
2025-08-31T09:29:07,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr
2025-08-31T09:29:07,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr
2025-08-31T09:29:07,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr
2025-08-31T09:29:07,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:07,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:07,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar
2025-08-31T09:29:07,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar
2025-08-31T09:29:07,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2
2025-08-31T09:29:07,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2
2025-08-31T09:29:07,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117
2025-08-31T09:29:07,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117
2025-08-31T09:29:07,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23
2025-08-31T09:29:07,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23
2025-08-31T09:29:07,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121
2025-08-31T09:29:07,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121
2025-08-31T09:29:07,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11
2025-08-31T09:29:07,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11
2025-08-31T09:29:07,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67
2025-08-31T09:29:07,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67
2025-08-31T09:29:07,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118
2025-08-31T09:29:07,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118
2025-08-31T09:29:07,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68
2025-08-31T09:29:07,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68
2025-08-31T09:29:07,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56
2025-08-31T09:29:07,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56
2025-08-31T09:29:07,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6
2025-08-31T09:29:07,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6
2025-08-31T09:29:07,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8
2025-08-31T09:29:07,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8
2025-08-31T09:29:07,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47
2025-08-31T09:29:07,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47
2025-08-31T09:29:07,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88
2025-08-31T09:29:07,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88
2025-08-31T09:29:07,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32
2025-08-31T09:29:07,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32
2025-08-31T09:29:07,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39
2025-08-31T09:29:07,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39
2025-08-31T09:29:07,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14
2025-08-31T09:29:07,622   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14
2025-08-31T09:29:07,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34
2025-08-31T09:29:07,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34
2025-08-31T09:29:07,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22
2025-08-31T09:29:07,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22
2025-08-31T09:29:07,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59
2025-08-31T09:29:07,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59
2025-08-31T09:29:07,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51
2025-08-31T09:29:07,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51
2025-08-31T09:29:07,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60
2025-08-31T09:29:07,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60
2025-08-31T09:29:07,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128
2025-08-31T09:29:07,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128
2025-08-31T09:29:07,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113
2025-08-31T09:29:07,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113
2025-08-31T09:29:07,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82
2025-08-31T09:29:07,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82
2025-08-31T09:29:07,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24
2025-08-31T09:29:07,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24
2025-08-31T09:29:07,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33
2025-08-31T09:29:07,658   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33
2025-08-31T09:29:07,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25
2025-08-31T09:29:07,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25
2025-08-31T09:29:07,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26
2025-08-31T09:29:07,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26
2025-08-31T09:29:07,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1
2025-08-31T09:29:07,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1
2025-08-31T09:29:07,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52
2025-08-31T09:29:07,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52
2025-08-31T09:29:07,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66
2025-08-31T09:29:07,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66
2025-08-31T09:29:07,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94
2025-08-31T09:29:07,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94
2025-08-31T09:29:07,682   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73
2025-08-31T09:29:07,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73
2025-08-31T09:29:07,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13
2025-08-31T09:29:07,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13
2025-08-31T09:29:07,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97
2025-08-31T09:29:07,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97
2025-08-31T09:29:07,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45
2025-08-31T09:29:07,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45
2025-08-31T09:29:07,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62
2025-08-31T09:29:07,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62
2025-08-31T09:29:07,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18
2025-08-31T09:29:07,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18
2025-08-31T09:29:07,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58
2025-08-31T09:29:07,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58
2025-08-31T09:29:07,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104
2025-08-31T09:29:07,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104
2025-08-31T09:29:07,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40
2025-08-31T09:29:07,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40
2025-08-31T09:29:07,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126
2025-08-31T09:29:07,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126
2025-08-31T09:29:07,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61
2025-08-31T09:29:07,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61
2025-08-31T09:29:07,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30
2025-08-31T09:29:07,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30
2025-08-31T09:29:07,725   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21
2025-08-31T09:29:07,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21
2025-08-31T09:29:07,729   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106
2025-08-31T09:29:07,730   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106
2025-08-31T09:29:07,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100
2025-08-31T09:29:07,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100
2025-08-31T09:29:07,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57
2025-08-31T09:29:07,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57
2025-08-31T09:29:07,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23
2025-08-31T09:29:07,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23
2025-08-31T09:29:07,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B
2025-08-31T09:29:07,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B
2025-08-31T09:29:07,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A
2025-08-31T09:29:07,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A
2025-08-31T09:29:07,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A
2025-08-31T09:29:07,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A
2025-08-31T09:29:07,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A
2025-08-31T09:29:07,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A
2025-08-31T09:29:07,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22
2025-08-31T09:29:07,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22
2025-08-31T09:29:07,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B
2025-08-31T09:29:07,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B
2025-08-31T09:29:07,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B
2025-08-31T09:29:07,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B
2025-08-31T09:29:07,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B
2025-08-31T09:29:07,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B
2025-08-31T09:29:07,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A
2025-08-31T09:29:07,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A
2025-08-31T09:29:07,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24
2025-08-31T09:29:07,777   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24
2025-08-31T09:29:07,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25
2025-08-31T09:29:07,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25
2025-08-31T09:29:07,783   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B
2025-08-31T09:29:07,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B
2025-08-31T09:29:07,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26
2025-08-31T09:29:07,788   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26
2025-08-31T09:29:07,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A
2025-08-31T09:29:07,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A
2025-08-31T09:29:07,794   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27
2025-08-31T09:29:07,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27
2025-08-31T09:29:07,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B
2025-08-31T09:29:07,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B
2025-08-31T09:29:07,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A
2025-08-31T09:29:07,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A
2025-08-31T09:29:07,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23
2025-08-31T09:29:07,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23
2025-08-31T09:29:07,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43
2025-08-31T09:29:07,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43
2025-08-31T09:29:07,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48
2025-08-31T09:29:07,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48
2025-08-31T09:29:07,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11
2025-08-31T09:29:07,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11
2025-08-31T09:29:07,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31
2025-08-31T09:29:07,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31
2025-08-31T09:29:07,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15
2025-08-31T09:29:07,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15
2025-08-31T09:29:07,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20
2025-08-31T09:29:07,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20
2025-08-31T09:29:07,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6
2025-08-31T09:29:07,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6
2025-08-31T09:29:07,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36
2025-08-31T09:29:07,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36
2025-08-31T09:29:07,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8
2025-08-31T09:29:07,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8
2025-08-31T09:29:07,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9
2025-08-31T09:29:07,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9
2025-08-31T09:29:07,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47
2025-08-31T09:29:07,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47
2025-08-31T09:29:07,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32
2025-08-31T09:29:07,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32
2025-08-31T09:29:07,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39
2025-08-31T09:29:07,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39
2025-08-31T09:29:07,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14
2025-08-31T09:29:07,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14
2025-08-31T09:29:07,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34
2025-08-31T09:29:07,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34
2025-08-31T09:29:07,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38
2025-08-31T09:29:07,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38
2025-08-31T09:29:07,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22
2025-08-31T09:29:07,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22
2025-08-31T09:29:07,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51
2025-08-31T09:29:07,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51
2025-08-31T09:29:07,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29
2025-08-31T09:29:07,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29
2025-08-31T09:29:07,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2
2025-08-31T09:29:07,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2
2025-08-31T09:29:07,886   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19
2025-08-31T09:29:07,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19
2025-08-31T09:29:07,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24
2025-08-31T09:29:07,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24
2025-08-31T09:29:07,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33
2025-08-31T09:29:07,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33
2025-08-31T09:29:07,898   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25
2025-08-31T09:29:07,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25
2025-08-31T09:29:07,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28
2025-08-31T09:29:07,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28
2025-08-31T09:29:07,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35
2025-08-31T09:29:07,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35
2025-08-31T09:29:07,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50
2025-08-31T09:29:07,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50
2025-08-31T09:29:07,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16
2025-08-31T09:29:07,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16
2025-08-31T09:29:07,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26
2025-08-31T09:29:07,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26
2025-08-31T09:29:07,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1
2025-08-31T09:29:07,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1
2025-08-31T09:29:07,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52
2025-08-31T09:29:07,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52
2025-08-31T09:29:07,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10
2025-08-31T09:29:07,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10
2025-08-31T09:29:07,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5
2025-08-31T09:29:07,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5
2025-08-31T09:29:07,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41
2025-08-31T09:29:07,939   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41
2025-08-31T09:29:07,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37
2025-08-31T09:29:07,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37
2025-08-31T09:29:07,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49
2025-08-31T09:29:07,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49
2025-08-31T09:29:07,949   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12
2025-08-31T09:29:07,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12
2025-08-31T09:29:07,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13
2025-08-31T09:29:07,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13
2025-08-31T09:29:07,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45
2025-08-31T09:29:07,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45
2025-08-31T09:29:07,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18
2025-08-31T09:29:07,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18
2025-08-31T09:29:07,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7
2025-08-31T09:29:07,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7
2025-08-31T09:29:07,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40
2025-08-31T09:29:07,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40
2025-08-31T09:29:07,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30
2025-08-31T09:29:07,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30
2025-08-31T09:29:07,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21
2025-08-31T09:29:07,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21
2025-08-31T09:29:07,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27
2025-08-31T09:29:07,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27
2025-08-31T09:29:07,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3
2025-08-31T09:29:07,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3
2025-08-31T09:29:07,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44
2025-08-31T09:29:07,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44
2025-08-31T09:29:07,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42
2025-08-31T09:29:07,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42
2025-08-31T09:29:07,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46
2025-08-31T09:29:07,998   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46
2025-08-31T09:29:08,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4
2025-08-31T09:29:08,002   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4
2025-08-31T09:29:08,004   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17
2025-08-31T09:29:08,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17
2025-08-31T09:29:08,008   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:08,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:08,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:08,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:08,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm
2025-08-31T09:29:08,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm
2025-08-31T09:29:08,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:08,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:08,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:29:08,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:29:08,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:08,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:08,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:08,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:08,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:08,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:08,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:08,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:08,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:08,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:08,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:08,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:08,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:08,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:08,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:08,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:08,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:08,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:08,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:08,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:08,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:08,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:08,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20
2025-08-31T09:29:08,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20
2025-08-31T09:29:08,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:08,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:08,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:08,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:08,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:08,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:08,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:08,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:08,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:08,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:08,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:08,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:08,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:08,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:08,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c
2025-08-31T09:29:08,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c
2025-08-31T09:29:08,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:08,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:08,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:08,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:08,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O
2025-08-31T09:29:08,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O
2025-08-31T09:29:08,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:08,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:08,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:08,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:08,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:08,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:08,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:08,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:08,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:08,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:08,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:08,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:08,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:08,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:08,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:08,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:08,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:08,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:08,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:08,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:08,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:08,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:08,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:08,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:08,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:08,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:08,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:08,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:08,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:08,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:08,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:08,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:08,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:08,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:08,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:08,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:08,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:08,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:08,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:08,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:08,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:08,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:08,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:08,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:08,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:08,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:08,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:08,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:08,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:08,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:08,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:08,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:08,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:08,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:08,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:08,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:08,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:08,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:08,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:08,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:08,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:08,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:08,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:08,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:08,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:08,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:08,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:08,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:08,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:08,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:08,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:08,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:08,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:08,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:08,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:08,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:08,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:08,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:08,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:08,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:08,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p
2025-08-31T09:29:08,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p
2025-08-31T09:29:08,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d
2025-08-31T09:29:08,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d
2025-08-31T09:29:08,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a
2025-08-31T09:29:08,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a
2025-08-31T09:29:08,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a
2025-08-31T09:29:08,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a
2025-08-31T09:29:08,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m
2025-08-31T09:29:08,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m
2025-08-31T09:29:08,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p
2025-08-31T09:29:08,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p
2025-08-31T09:29:08,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p
2025-08-31T09:29:08,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p
2025-08-31T09:29:08,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a
2025-08-31T09:29:08,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a
2025-08-31T09:29:08,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f
2025-08-31T09:29:08,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f
2025-08-31T09:29:08,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p
2025-08-31T09:29:08,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p
2025-08-31T09:29:08,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a
2025-08-31T09:29:08,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a
2025-08-31T09:29:08,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a
2025-08-31T09:29:08,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a
2025-08-31T09:29:08,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d
2025-08-31T09:29:08,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d
2025-08-31T09:29:08,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b
2025-08-31T09:29:08,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b
2025-08-31T09:29:08,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g
2025-08-31T09:29:08,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g
2025-08-31T09:29:08,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b
2025-08-31T09:29:08,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b
2025-08-31T09:29:08,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa
2025-08-31T09:29:08,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa
2025-08-31T09:29:08,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e
2025-08-31T09:29:08,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e
2025-08-31T09:29:08,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b
2025-08-31T09:29:08,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b
2025-08-31T09:29:08,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b
2025-08-31T09:29:08,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b
2025-08-31T09:29:08,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a
2025-08-31T09:29:08,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a
2025-08-31T09:29:08,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z
2025-08-31T09:29:08,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z
2025-08-31T09:29:08,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c
2025-08-31T09:29:08,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c
2025-08-31T09:29:08,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h
2025-08-31T09:29:08,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h
2025-08-31T09:29:08,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:08,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:08,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:08,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:08,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:08,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:08,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:08,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:08,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:08,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:08,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:08,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:08,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:08,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:08,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:08,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:08,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:08,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:08,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:08,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:08,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:08,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:08,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:08,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:08,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:08,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:08,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:08,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:08,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:08,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:08,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:08,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:08,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:08,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:08,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:08,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:08,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:08,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:08,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:08,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:08,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:08,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:08,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:08,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:08,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:08,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:08,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:08,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:08,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:08,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:08,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:08,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:08,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:08,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:08,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:08,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:08,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:08,492   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:08,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:08,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:08,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:08,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:08,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:08,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:08,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:08,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:08,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:08,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:08,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:08,514   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:08,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:08,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:08,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:08,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:08,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3
2025-08-31T09:29:08,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3
2025-08-31T09:29:08,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:08,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:08,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:08,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:08,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:08,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:08,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:08,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:08,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:08,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:08,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:08,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:08,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:08,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:08,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:08,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:08,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:08,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:08,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:08,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:08,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:08,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:08,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:08,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:08,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:08,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:08,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:08,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:08,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether
2025-08-31T09:29:08,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether
2025-08-31T09:29:08,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:08,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:08,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3
2025-08-31T09:29:08,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3
2025-08-31T09:29:08,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:08,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:08,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:08,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:08,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:08,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:08,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:08,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:08,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:08,611   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:08,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:08,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:08,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:08,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:08,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:08,622   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:08,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:08,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:08,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:08,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:08,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:08,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:08,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S
2025-08-31T09:29:08,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S
2025-08-31T09:29:08,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:08,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:08,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3
2025-08-31T09:29:08,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3
2025-08-31T09:29:08,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3
2025-08-31T09:29:08,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3
2025-08-31T09:29:08,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:29:08,653   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
2025-08-31T09:29:08,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:08,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:08,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3
2025-08-31T09:29:08,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3
2025-08-31T09:29:08,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:08,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:08,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:29:08,668   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
2025-08-31T09:29:08,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:08,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:08,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether
2025-08-31T09:29:08,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether
2025-08-31T09:29:08,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:08,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:08,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:08,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:08,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O
2025-08-31T09:29:08,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O
2025-08-31T09:29:08,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:08,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:08,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:08,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:08,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2
2025-08-31T09:29:08,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2
2025-08-31T09:29:08,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:08,703   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:08,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2
2025-08-31T09:29:08,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2
2025-08-31T09:29:08,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4
2025-08-31T09:29:08,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4
2025-08-31T09:29:08,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6
2025-08-31T09:29:08,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6
2025-08-31T09:29:08,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3
2025-08-31T09:29:08,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3
2025-08-31T09:29:08,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2
2025-08-31T09:29:08,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2
2025-08-31T09:29:08,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e
2025-08-31T09:29:08,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e
2025-08-31T09:29:08,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1
2025-08-31T09:29:08,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1
2025-08-31T09:29:08,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3
2025-08-31T09:29:08,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3
2025-08-31T09:29:08,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1
2025-08-31T09:29:08,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1
2025-08-31T09:29:08,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1
2025-08-31T09:29:08,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1
2025-08-31T09:29:08,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e
2025-08-31T09:29:08,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e
2025-08-31T09:29:08,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e
2025-08-31T09:29:08,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e
2025-08-31T09:29:08,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3
2025-08-31T09:29:08,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3
2025-08-31T09:29:08,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr
2025-08-31T09:29:08,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr
2025-08-31T09:29:08,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1
2025-08-31T09:29:08,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1
2025-08-31T09:29:08,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e
2025-08-31T09:29:08,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e
2025-08-31T09:29:08,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2
2025-08-31T09:29:08,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2
2025-08-31T09:29:08,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p
2025-08-31T09:29:08,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p
2025-08-31T09:29:08,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1
2025-08-31T09:29:08,780   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1
2025-08-31T09:29:08,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e
2025-08-31T09:29:08,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e
2025-08-31T09:29:08,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1
2025-08-31T09:29:08,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1
2025-08-31T09:29:08,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2
2025-08-31T09:29:08,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2
2025-08-31T09:29:08,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1
2025-08-31T09:29:08,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1
2025-08-31T09:29:08,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e
2025-08-31T09:29:08,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e
2025-08-31T09:29:08,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1
2025-08-31T09:29:08,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1
2025-08-31T09:29:08,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e
2025-08-31T09:29:08,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e
2025-08-31T09:29:08,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me
2025-08-31T09:29:08,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me
2025-08-31T09:29:08,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3
2025-08-31T09:29:08,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3
2025-08-31T09:29:08,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2
2025-08-31T09:29:08,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2
2025-08-31T09:29:08,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p
2025-08-31T09:29:08,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p
2025-08-31T09:29:08,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5
2025-08-31T09:29:08,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5
2025-08-31T09:29:08,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e
2025-08-31T09:29:08,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e
2025-08-31T09:29:08,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene
2025-08-31T09:29:08,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene
2025-08-31T09:29:08,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e
2025-08-31T09:29:08,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e
2025-08-31T09:29:08,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1
2025-08-31T09:29:08,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1
2025-08-31T09:29:08,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e
2025-08-31T09:29:08,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e
2025-08-31T09:29:08,845   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int
2025-08-31T09:29:08,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int
2025-08-31T09:29:08,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2
2025-08-31T09:29:08,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2
2025-08-31T09:29:08,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3
2025-08-31T09:29:08,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3
2025-08-31T09:29:08,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2
2025-08-31T09:29:08,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2
2025-08-31T09:29:08,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3
2025-08-31T09:29:08,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3
2025-08-31T09:29:08,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29
2025-08-31T09:29:08,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29
2025-08-31T09:29:08,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28
2025-08-31T09:29:08,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28
2025-08-31T09:29:08,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20
2025-08-31T09:29:08,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20
2025-08-31T09:29:08,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9
2025-08-31T09:29:08,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9
2025-08-31T09:29:08,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33
2025-08-31T09:29:08,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33
2025-08-31T09:29:08,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24
2025-08-31T09:29:08,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24
2025-08-31T09:29:08,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11
2025-08-31T09:29:08,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11
2025-08-31T09:29:08,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41
2025-08-31T09:29:08,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41
2025-08-31T09:29:08,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15
2025-08-31T09:29:08,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15
2025-08-31T09:29:08,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16
2025-08-31T09:29:08,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16
2025-08-31T09:29:08,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38
2025-08-31T09:29:08,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38
2025-08-31T09:29:08,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36
2025-08-31T09:29:08,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36
2025-08-31T09:29:08,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19
2025-08-31T09:29:08,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19
2025-08-31T09:29:08,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32
2025-08-31T09:29:08,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32
2025-08-31T09:29:08,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8
2025-08-31T09:29:08,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8
2025-08-31T09:29:08,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40
2025-08-31T09:29:08,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40
2025-08-31T09:29:08,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34
2025-08-31T09:29:08,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34
2025-08-31T09:29:08,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7
2025-08-31T09:29:08,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7
2025-08-31T09:29:08,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24
2025-08-31T09:29:08,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24
2025-08-31T09:29:08,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39
2025-08-31T09:29:08,939   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39
2025-08-31T09:29:08,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17
2025-08-31T09:29:08,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17
2025-08-31T09:29:08,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12
2025-08-31T09:29:08,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12
2025-08-31T09:29:08,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35
2025-08-31T09:29:08,950   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35
2025-08-31T09:29:08,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21
2025-08-31T09:29:08,954   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21
2025-08-31T09:29:08,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44
2025-08-31T09:29:08,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44
2025-08-31T09:29:08,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25
2025-08-31T09:29:08,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25
2025-08-31T09:29:08,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1
2025-08-31T09:29:08,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1
2025-08-31T09:29:08,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23
2025-08-31T09:29:08,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23
2025-08-31T09:29:08,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37
2025-08-31T09:29:08,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37
2025-08-31T09:29:08,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13
2025-08-31T09:29:08,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13
2025-08-31T09:29:08,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44
2025-08-31T09:29:08,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44
2025-08-31T09:29:08,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36
2025-08-31T09:29:08,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36
2025-08-31T09:29:08,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4
2025-08-31T09:29:08,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4
2025-08-31T09:29:08,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5
2025-08-31T09:29:08,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5
2025-08-31T09:29:08,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13
2025-08-31T09:29:08,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13
2025-08-31T09:29:08,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33
2025-08-31T09:29:08,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33
2025-08-31T09:29:09,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39
2025-08-31T09:29:09,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39
2025-08-31T09:29:09,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15
2025-08-31T09:29:09,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15
2025-08-31T09:29:09,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31
2025-08-31T09:29:09,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31
2025-08-31T09:29:09,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3
2025-08-31T09:29:09,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3
2025-08-31T09:29:09,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31
2025-08-31T09:29:09,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31
2025-08-31T09:29:09,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42
2025-08-31T09:29:09,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42
2025-08-31T09:29:09,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22
2025-08-31T09:29:09,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22
2025-08-31T09:29:09,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30
2025-08-31T09:29:09,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30
2025-08-31T09:29:09,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43
2025-08-31T09:29:09,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43
2025-08-31T09:29:09,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6
2025-08-31T09:29:09,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6
2025-08-31T09:29:09,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38
2025-08-31T09:29:09,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38
2025-08-31T09:29:09,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23
2025-08-31T09:29:09,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23
2025-08-31T09:29:09,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10
2025-08-31T09:29:09,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10
2025-08-31T09:29:09,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6
2025-08-31T09:29:09,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6
2025-08-31T09:29:09,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4
2025-08-31T09:29:09,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4
2025-08-31T09:29:09,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8
2025-08-31T09:29:09,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8
2025-08-31T09:29:09,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16
2025-08-31T09:29:09,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16
2025-08-31T09:29:09,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28
2025-08-31T09:29:09,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28
2025-08-31T09:29:09,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18
2025-08-31T09:29:09,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18
2025-08-31T09:29:09,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19
2025-08-31T09:29:09,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19
2025-08-31T09:29:09,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43
2025-08-31T09:29:09,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43
2025-08-31T09:29:09,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2
2025-08-31T09:29:09,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2
2025-08-31T09:29:09,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32
2025-08-31T09:29:09,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32
2025-08-31T09:29:09,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20
2025-08-31T09:29:09,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20
2025-08-31T09:29:09,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3
2025-08-31T09:29:09,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3
2025-08-31T09:29:09,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27
2025-08-31T09:29:09,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27
2025-08-31T09:29:09,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40
2025-08-31T09:29:09,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40
2025-08-31T09:29:09,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11
2025-08-31T09:29:09,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11
2025-08-31T09:29:09,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35
2025-08-31T09:29:09,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35
2025-08-31T09:29:09,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26
2025-08-31T09:29:09,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26
2025-08-31T09:29:09,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26
2025-08-31T09:29:09,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26
2025-08-31T09:29:09,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21
2025-08-31T09:29:09,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21
2025-08-31T09:29:09,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42
2025-08-31T09:29:09,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42
2025-08-31T09:29:09,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18
2025-08-31T09:29:09,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18
2025-08-31T09:29:09,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41
2025-08-31T09:29:09,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41
2025-08-31T09:29:09,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5
2025-08-31T09:29:09,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5
2025-08-31T09:29:09,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37
2025-08-31T09:29:09,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37
2025-08-31T09:29:09,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9
2025-08-31T09:29:09,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9
2025-08-31T09:29:09,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1
2025-08-31T09:29:09,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1
2025-08-31T09:29:09,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45
2025-08-31T09:29:09,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45
2025-08-31T09:29:09,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7
2025-08-31T09:29:09,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7
2025-08-31T09:29:09,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29
2025-08-31T09:29:09,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29
2025-08-31T09:29:09,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17
2025-08-31T09:29:09,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17
2025-08-31T09:29:09,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2
2025-08-31T09:29:09,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2
2025-08-31T09:29:09,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12
2025-08-31T09:29:09,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12
2025-08-31T09:29:09,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34
2025-08-31T09:29:09,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34
2025-08-31T09:29:09,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10
2025-08-31T09:29:09,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10
2025-08-31T09:29:09,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27
2025-08-31T09:29:09,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27
2025-08-31T09:29:09,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45
2025-08-31T09:29:09,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45
2025-08-31T09:29:09,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22
2025-08-31T09:29:09,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22
2025-08-31T09:29:09,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25
2025-08-31T09:29:09,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25
2025-08-31T09:29:09,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30
2025-08-31T09:29:09,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30
2025-08-31T09:29:09,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:29:09,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:29:09,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:29:09,207   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
2025-08-31T09:29:09,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:29:09,210   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
2025-08-31T09:29:09,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6
2025-08-31T09:29:09,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6
2025-08-31T09:29:09,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5
2025-08-31T09:29:09,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5
2025-08-31T09:29:09,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2
2025-08-31T09:29:09,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2
2025-08-31T09:29:09,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:29:09,226   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
2025-08-31T09:29:09,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:29:09,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:29:09,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:29:09,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:29:09,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:29:09,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:29:09,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4
2025-08-31T09:29:09,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4
2025-08-31T09:29:09,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6
2025-08-31T09:29:09,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6
2025-08-31T09:29:09,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts
2025-08-31T09:29:09,248   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts
2025-08-31T09:29:09,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:29:09,252   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
2025-08-31T09:29:09,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:29:09,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:29:09,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5
2025-08-31T09:29:09,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5
2025-08-31T09:29:09,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts
2025-08-31T09:29:09,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts
2025-08-31T09:29:09,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:29:09,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:29:09,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:29:09,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:29:09,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9
2025-08-31T09:29:09,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9
2025-08-31T09:29:09,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts
2025-08-31T09:29:09,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts
2025-08-31T09:29:09,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts
2025-08-31T09:29:09,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts
2025-08-31T09:29:09,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8
2025-08-31T09:29:09,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8
2025-08-31T09:29:09,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:29:09,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:29:09,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts
2025-08-31T09:29:09,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts
2025-08-31T09:29:09,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r
2025-08-31T09:29:09,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r
2025-08-31T09:29:09,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:29:09,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:29:09,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:29:09,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:29:09,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r
2025-08-31T09:29:09,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r
2025-08-31T09:29:09,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3
2025-08-31T09:29:09,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3
2025-08-31T09:29:09,313   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts
2025-08-31T09:29:09,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts
2025-08-31T09:29:09,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts
2025-08-31T09:29:09,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts
2025-08-31T09:29:09,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts
2025-08-31T09:29:09,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts
2025-08-31T09:29:09,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:29:09,326   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
2025-08-31T09:29:09,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r
2025-08-31T09:29:09,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r
2025-08-31T09:29:09,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10
2025-08-31T09:29:09,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10
2025-08-31T09:29:09,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:29:09,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:29:09,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r
2025-08-31T09:29:09,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r
2025-08-31T09:29:09,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r
2025-08-31T09:29:09,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r
2025-08-31T09:29:09,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:29:09,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:29:09,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:29:09,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:29:09,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r
2025-08-31T09:29:09,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r
2025-08-31T09:29:09,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r
2025-08-31T09:29:09,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r
2025-08-31T09:29:09,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4
2025-08-31T09:29:09,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4
2025-08-31T09:29:09,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r
2025-08-31T09:29:09,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r
2025-08-31T09:29:09,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1
2025-08-31T09:29:09,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1
2025-08-31T09:29:09,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7
2025-08-31T09:29:09,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7
2025-08-31T09:29:09,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:29:09,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:29:09,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2
2025-08-31T09:29:09,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2
2025-08-31T09:29:09,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11
2025-08-31T09:29:09,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11
2025-08-31T09:29:09,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:29:09,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:29:09,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:29:09,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:29:09,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:29:09,396   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
2025-08-31T09:29:09,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9
2025-08-31T09:29:09,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9
2025-08-31T09:29:09,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1
2025-08-31T09:29:09,403   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1
2025-08-31T09:29:09,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts
2025-08-31T09:29:09,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts
2025-08-31T09:29:09,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:29:09,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:29:09,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7
2025-08-31T09:29:09,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7
2025-08-31T09:29:09,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:29:09,417   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
2025-08-31T09:29:09,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3
2025-08-31T09:29:09,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3
2025-08-31T09:29:09,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8
2025-08-31T09:29:09,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8
2025-08-31T09:29:09,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:29:09,429   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
2025-08-31T09:29:09,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:29:09,433   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
2025-08-31T09:29:09,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:29:09,437   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
2025-08-31T09:29:09,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:29:09,441   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
2025-08-31T09:29:09,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:29:09,445   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
2025-08-31T09:29:09,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h
2025-08-31T09:29:09,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h
2025-08-31T09:29:09,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:29:09,452   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
2025-08-31T09:29:09,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:09,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:09,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:29:09,459   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
2025-08-31T09:29:09,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:29:09,463   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
2025-08-31T09:29:09,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:29:09,466   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
2025-08-31T09:29:09,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:09,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:09,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:29:09,474   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
2025-08-31T09:29:09,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:29:09,478   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
2025-08-31T09:29:09,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:29:09,482   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
2025-08-31T09:29:09,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:29:09,486   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
2025-08-31T09:29:09,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:29:09,489   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
2025-08-31T09:29:09,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:09,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:09,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:29:09,497   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
2025-08-31T09:29:09,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:29:09,501   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
2025-08-31T09:29:09,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:09,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:09,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:09,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:09,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he
2025-08-31T09:29:09,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he
2025-08-31T09:29:09,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f
2025-08-31T09:29:09,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f
2025-08-31T09:29:09,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2
2025-08-31T09:29:09,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2
2025-08-31T09:29:09,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l
2025-08-31T09:29:09,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l
2025-08-31T09:29:09,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:09,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:09,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant
2025-08-31T09:29:09,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant
2025-08-31T09:29:09,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:09,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:09,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1
2025-08-31T09:29:09,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1
2025-08-31T09:29:09,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22
2025-08-31T09:29:09,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22
2025-08-31T09:29:09,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l
2025-08-31T09:29:09,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l
2025-08-31T09:29:09,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:09,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:09,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2
2025-08-31T09:29:09,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2
2025-08-31T09:29:09,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f
2025-08-31T09:29:09,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f
2025-08-31T09:29:09,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:09,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:09,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:09,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:09,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:09,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:09,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:09,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:09,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:09,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:09,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:09,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:09,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:09,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:09,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:09,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:09,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:09,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:09,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:09,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:09,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:09,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:09,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:09,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:09,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:09,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:09,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:09,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:09,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:09,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:09,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:09,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:09,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:09,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:09,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:09,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:09,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:09,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:09,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:09,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:09,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:09,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:09,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:09,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:09,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:09,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:09,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:09,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:09,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:09,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:09,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:09,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:09,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:09,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:09,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:09,667   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:09,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:09,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:09,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:09,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:09,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:09,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:09,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:09,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:09,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:09,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:09,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:09,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:09,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:09,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:09,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:09,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:09,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:09,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:09,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:09,703   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:09,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:09,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:09,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:09,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:09,713   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:09,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:09,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:09,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:09,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:09,721   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:09,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:09,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:09,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:09,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:09,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:09,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:09,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:09,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:09,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:09,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:09,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:09,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:09,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:09,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:09,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:09,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:09,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:09,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:09,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:09,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:09,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:09,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:09,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:09,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:09,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:09,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:09,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:09,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:09,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:09,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:09,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:09,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:09,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:09,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:09,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:09,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:09,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:09,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:09,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:09,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:09,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:09,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:09,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:09,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:09,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:09,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:09,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:09,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:09,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:09,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:09,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:09,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:09,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:09,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:09,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:09,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:09,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:09,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:09,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:09,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:09,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:09,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:09,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:09,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:09,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:09,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:09,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:09,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:09,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:09,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:09,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:09,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:09,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:09,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:09,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:09,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:09,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:09,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:09,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:09,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:09,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:09,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:09,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:09,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:09,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:09,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:09,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:09,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:09,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:29:09,889   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+
2025-08-31T09:29:09,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:29:09,893   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-
2025-08-31T09:29:09,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:09,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:09,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:09,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:09,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:09,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:09,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:29:09,907   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-
2025-08-31T09:29:09,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:09,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:09,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:29:09,915   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-
2025-08-31T09:29:09,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:09,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:09,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:29:09,923   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-
2025-08-31T09:29:09,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:09,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:09,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T
2025-08-31T09:29:09,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T
2025-08-31T09:29:09,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:09,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:09,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:29:09,940   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+
2025-08-31T09:29:09,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:09,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:09,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G
2025-08-31T09:29:09,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G
2025-08-31T09:29:09,949   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:09,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:09,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23
2025-08-31T09:29:09,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23
2025-08-31T09:29:09,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11
2025-08-31T09:29:09,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11
2025-08-31T09:29:09,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b
2025-08-31T09:29:09,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b
2025-08-31T09:29:09,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15
2025-08-31T09:29:09,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15
2025-08-31T09:29:09,970   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a
2025-08-31T09:29:09,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a
2025-08-31T09:29:09,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a
2025-08-31T09:29:09,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a
2025-08-31T09:29:09,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20
2025-08-31T09:29:09,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20
2025-08-31T09:29:09,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6
2025-08-31T09:29:09,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6
2025-08-31T09:29:09,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b
2025-08-31T09:29:09,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b
2025-08-31T09:29:09,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b
2025-08-31T09:29:09,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b
2025-08-31T09:29:09,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8
2025-08-31T09:29:09,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8
2025-08-31T09:29:09,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9
2025-08-31T09:29:10,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9
2025-08-31T09:29:10,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b
2025-08-31T09:29:10,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b
2025-08-31T09:29:10,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a
2025-08-31T09:29:10,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a
2025-08-31T09:29:10,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a
2025-08-31T09:29:10,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a
2025-08-31T09:29:10,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a
2025-08-31T09:29:10,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a
2025-08-31T09:29:10,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14
2025-08-31T09:29:10,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14
2025-08-31T09:29:10,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b
2025-08-31T09:29:10,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b
2025-08-31T09:29:10,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22
2025-08-31T09:29:10,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22
2025-08-31T09:29:10,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b
2025-08-31T09:29:10,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b
2025-08-31T09:29:10,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b
2025-08-31T09:29:10,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b
2025-08-31T09:29:10,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a
2025-08-31T09:29:10,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a
2025-08-31T09:29:10,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a
2025-08-31T09:29:10,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a
2025-08-31T09:29:10,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a
2025-08-31T09:29:10,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a
2025-08-31T09:29:10,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b
2025-08-31T09:29:10,050   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b
2025-08-31T09:29:10,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a
2025-08-31T09:29:10,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a
2025-08-31T09:29:10,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2
2025-08-31T09:29:10,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2
2025-08-31T09:29:10,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19
2025-08-31T09:29:10,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19
2025-08-31T09:29:10,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a
2025-08-31T09:29:10,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a
2025-08-31T09:29:10,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b
2025-08-31T09:29:10,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b
2025-08-31T09:29:10,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16
2025-08-31T09:29:10,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16
2025-08-31T09:29:10,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b
2025-08-31T09:29:10,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b
2025-08-31T09:29:10,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a
2025-08-31T09:29:10,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a
2025-08-31T09:29:10,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1
2025-08-31T09:29:10,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1
2025-08-31T09:29:10,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b
2025-08-31T09:29:10,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b
2025-08-31T09:29:10,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a
2025-08-31T09:29:10,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a
2025-08-31T09:29:10,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b
2025-08-31T09:29:10,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b
2025-08-31T09:29:10,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a
2025-08-31T09:29:10,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a
2025-08-31T09:29:10,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a
2025-08-31T09:29:10,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a
2025-08-31T09:29:10,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b
2025-08-31T09:29:10,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b
2025-08-31T09:29:10,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10
2025-08-31T09:29:10,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10
2025-08-31T09:29:10,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5
2025-08-31T09:29:10,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5
2025-08-31T09:29:10,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a
2025-08-31T09:29:10,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a
2025-08-31T09:29:10,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b
2025-08-31T09:29:10,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b
2025-08-31T09:29:10,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b
2025-08-31T09:29:10,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b
2025-08-31T09:29:10,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b
2025-08-31T09:29:10,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b
2025-08-31T09:29:10,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b
2025-08-31T09:29:10,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b
2025-08-31T09:29:10,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a
2025-08-31T09:29:10,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a
2025-08-31T09:29:10,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a
2025-08-31T09:29:10,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a
2025-08-31T09:29:10,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12
2025-08-31T09:29:10,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12
2025-08-31T09:29:10,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a
2025-08-31T09:29:10,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a
2025-08-31T09:29:10,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a
2025-08-31T09:29:10,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a
2025-08-31T09:29:10,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13
2025-08-31T09:29:10,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13
2025-08-31T09:29:10,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b
2025-08-31T09:29:10,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b
2025-08-31T09:29:10,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a
2025-08-31T09:29:10,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a
2025-08-31T09:29:10,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a
2025-08-31T09:29:10,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a
2025-08-31T09:29:10,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18
2025-08-31T09:29:10,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18
2025-08-31T09:29:10,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7
2025-08-31T09:29:10,176   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7
2025-08-31T09:29:10,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b
2025-08-31T09:29:10,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b
2025-08-31T09:29:10,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a
2025-08-31T09:29:10,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a
2025-08-31T09:29:10,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b
2025-08-31T09:29:10,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b
2025-08-31T09:29:10,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21
2025-08-31T09:29:10,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21
2025-08-31T09:29:10,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b
2025-08-31T09:29:10,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b
2025-08-31T09:29:10,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3
2025-08-31T09:29:10,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3
2025-08-31T09:29:10,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a
2025-08-31T09:29:10,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a
2025-08-31T09:29:10,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b
2025-08-31T09:29:10,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b
2025-08-31T09:29:10,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4
2025-08-31T09:29:10,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4
2025-08-31T09:29:10,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17
2025-08-31T09:29:10,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17
2025-08-31T09:29:10,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b
2025-08-31T09:29:10,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b
2025-08-31T09:29:10,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A
2025-08-31T09:29:10,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A
2025-08-31T09:29:10,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228
2025-08-31T09:29:10,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228
2025-08-31T09:29:10,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213
2025-08-31T09:29:10,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213
2025-08-31T09:29:10,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B
2025-08-31T09:29:10,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B
2025-08-31T09:29:10,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A
2025-08-31T09:29:10,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A
2025-08-31T09:29:10,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B
2025-08-31T09:29:10,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B
2025-08-31T09:29:10,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B
2025-08-31T09:29:10,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B
2025-08-31T09:29:10,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A
2025-08-31T09:29:10,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A
2025-08-31T09:29:10,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A
2025-08-31T09:29:10,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A
2025-08-31T09:29:10,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212
2025-08-31T09:29:10,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212
2025-08-31T09:29:10,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B
2025-08-31T09:29:10,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B
2025-08-31T09:29:10,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202
2025-08-31T09:29:10,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202
2025-08-31T09:29:10,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152
2025-08-31T09:29:10,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152
2025-08-31T09:29:10,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B
2025-08-31T09:29:10,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B
2025-08-31T09:29:10,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B
2025-08-31T09:29:10,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B
2025-08-31T09:29:10,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008
2025-08-31T09:29:10,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008
2025-08-31T09:29:10,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A
2025-08-31T09:29:10,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A
2025-08-31T09:29:10,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A
2025-08-31T09:29:10,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A
2025-08-31T09:29:10,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150
2025-08-31T09:29:10,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150
2025-08-31T09:29:10,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A
2025-08-31T09:29:10,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A
2025-08-31T09:29:10,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B
2025-08-31T09:29:10,298   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B
2025-08-31T09:29:10,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A
2025-08-31T09:29:10,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A
2025-08-31T09:29:10,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B
2025-08-31T09:29:10,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B
2025-08-31T09:29:10,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B
2025-08-31T09:29:10,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B
2025-08-31T09:29:10,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A
2025-08-31T09:29:10,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A
2025-08-31T09:29:10,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B
2025-08-31T09:29:10,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B
2025-08-31T09:29:10,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230
2025-08-31T09:29:10,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230
2025-08-31T09:29:10,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A
2025-08-31T09:29:10,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A
2025-08-31T09:29:10,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B
2025-08-31T09:29:10,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B
2025-08-31T09:29:10,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229
2025-08-31T09:29:10,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229
2025-08-31T09:29:10,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B
2025-08-31T09:29:10,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B
2025-08-31T09:29:10,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144
2025-08-31T09:29:10,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144
2025-08-31T09:29:10,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147
2025-08-31T09:29:10,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147
2025-08-31T09:29:10,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B
2025-08-31T09:29:10,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B
2025-08-31T09:29:10,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A
2025-08-31T09:29:10,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A
2025-08-31T09:29:10,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227
2025-08-31T09:29:10,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227
2025-08-31T09:29:10,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148
2025-08-31T09:29:10,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148
2025-08-31T09:29:10,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B
2025-08-31T09:29:10,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B
2025-08-31T09:29:10,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A
2025-08-31T09:29:10,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A
2025-08-31T09:29:10,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187
2025-08-31T09:29:10,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187
2025-08-31T09:29:10,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A
2025-08-31T09:29:10,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A
2025-08-31T09:29:10,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A
2025-08-31T09:29:10,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A
2025-08-31T09:29:10,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214
2025-08-31T09:29:10,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214
2025-08-31T09:29:10,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B
2025-08-31T09:29:10,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B
2025-08-31T09:29:10,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A
2025-08-31T09:29:10,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A
2025-08-31T09:29:10,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231
2025-08-31T09:29:10,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231
2025-08-31T09:29:10,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B
2025-08-31T09:29:10,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B
2025-08-31T09:29:10,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A
2025-08-31T09:29:10,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A
2025-08-31T09:29:10,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A
2025-08-31T09:29:10,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A
2025-08-31T09:29:10,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B
2025-08-31T09:29:10,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B
2025-08-31T09:29:10,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A
2025-08-31T09:29:10,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A
2025-08-31T09:29:10,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11
2025-08-31T09:29:10,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11
2025-08-31T09:29:10,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B
2025-08-31T09:29:10,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B
2025-08-31T09:29:10,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A
2025-08-31T09:29:10,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A
2025-08-31T09:29:10,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A
2025-08-31T09:29:10,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A
2025-08-31T09:29:10,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A
2025-08-31T09:29:10,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A
2025-08-31T09:29:10,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B
2025-08-31T09:29:10,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B
2025-08-31T09:29:10,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15
2025-08-31T09:29:10,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15
2025-08-31T09:29:10,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A
2025-08-31T09:29:10,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A
2025-08-31T09:29:10,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A
2025-08-31T09:29:10,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A
2025-08-31T09:29:10,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20
2025-08-31T09:29:10,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20
2025-08-31T09:29:10,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6
2025-08-31T09:29:10,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6
2025-08-31T09:29:10,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A
2025-08-31T09:29:10,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A
2025-08-31T09:29:10,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8
2025-08-31T09:29:10,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8
2025-08-31T09:29:10,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9
2025-08-31T09:29:10,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9
2025-08-31T09:29:10,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B
2025-08-31T09:29:10,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B
2025-08-31T09:29:10,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B
2025-08-31T09:29:10,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B
2025-08-31T09:29:10,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B
2025-08-31T09:29:10,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B
2025-08-31T09:29:10,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A
2025-08-31T09:29:10,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A
2025-08-31T09:29:10,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14
2025-08-31T09:29:10,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14
2025-08-31T09:29:10,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B
2025-08-31T09:29:10,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B
2025-08-31T09:29:10,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A
2025-08-31T09:29:10,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A
2025-08-31T09:29:10,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B
2025-08-31T09:29:10,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B
2025-08-31T09:29:10,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A
2025-08-31T09:29:10,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A
2025-08-31T09:29:10,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B
2025-08-31T09:29:10,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B
2025-08-31T09:29:10,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A
2025-08-31T09:29:10,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A
2025-08-31T09:29:10,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A
2025-08-31T09:29:10,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A
2025-08-31T09:29:10,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B
2025-08-31T09:29:10,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B
2025-08-31T09:29:10,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B
2025-08-31T09:29:10,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B
2025-08-31T09:29:10,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B
2025-08-31T09:29:10,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B
2025-08-31T09:29:10,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2
2025-08-31T09:29:10,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2
2025-08-31T09:29:10,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19
2025-08-31T09:29:10,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19
2025-08-31T09:29:10,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B
2025-08-31T09:29:10,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B
2025-08-31T09:29:10,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B
2025-08-31T09:29:10,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B
2025-08-31T09:29:10,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16
2025-08-31T09:29:10,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16
2025-08-31T09:29:10,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1
2025-08-31T09:29:10,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1
2025-08-31T09:29:10,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B
2025-08-31T09:29:10,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B
2025-08-31T09:29:10,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B
2025-08-31T09:29:10,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B
2025-08-31T09:29:10,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B
2025-08-31T09:29:10,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B
2025-08-31T09:29:10,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A
2025-08-31T09:29:10,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A
2025-08-31T09:29:10,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B
2025-08-31T09:29:10,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B
2025-08-31T09:29:10,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A
2025-08-31T09:29:10,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A
2025-08-31T09:29:10,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10
2025-08-31T09:29:10,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10
2025-08-31T09:29:10,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5
2025-08-31T09:29:10,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5
2025-08-31T09:29:10,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A
2025-08-31T09:29:10,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A
2025-08-31T09:29:10,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A
2025-08-31T09:29:10,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A
2025-08-31T09:29:10,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A
2025-08-31T09:29:10,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A
2025-08-31T09:29:10,580   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12
2025-08-31T09:29:10,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12
2025-08-31T09:29:10,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13
2025-08-31T09:29:10,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13
2025-08-31T09:29:10,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18
2025-08-31T09:29:10,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18
2025-08-31T09:29:10,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7
2025-08-31T09:29:10,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7
2025-08-31T09:29:10,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B
2025-08-31T09:29:10,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B
2025-08-31T09:29:10,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B
2025-08-31T09:29:10,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B
2025-08-31T09:29:10,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A
2025-08-31T09:29:10,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A
2025-08-31T09:29:10,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21
2025-08-31T09:29:10,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21
2025-08-31T09:29:10,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B
2025-08-31T09:29:10,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B
2025-08-31T09:29:10,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3
2025-08-31T09:29:10,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3
2025-08-31T09:29:10,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A
2025-08-31T09:29:10,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A
2025-08-31T09:29:10,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A
2025-08-31T09:29:10,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A
2025-08-31T09:29:10,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4
2025-08-31T09:29:10,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4
2025-08-31T09:29:10,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17
2025-08-31T09:29:10,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17
2025-08-31T09:29:10,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:10,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:10,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:10,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:10,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:10,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:10,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:10,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:10,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:10,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:10,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2
2025-08-31T09:29:10,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2
2025-08-31T09:29:10,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:10,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:10,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz
2025-08-31T09:29:10,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz
2025-08-31T09:29:10,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:10,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:10,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:10,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:10,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:10,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:10,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:10,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:10,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:10,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:10,682   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:10,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:10,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch
2025-08-31T09:29:10,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch
2025-08-31T09:29:10,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2
2025-08-31T09:29:10,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2
2025-08-31T09:29:10,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:10,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:10,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:10,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:10,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:10,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:10,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:10,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:10,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:10,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:10,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:10,714   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
2025-08-31T09:29:10,717   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8
2025-08-31T09:29:10,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8
2025-08-31T09:29:10,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:10,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:10,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:10,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:10,728   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+
2025-08-31T09:29:10,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+
2025-08-31T09:29:10,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:10,733   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
2025-08-31T09:29:10,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2
2025-08-31T09:29:10,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2
2025-08-31T09:29:10,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:10,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:10,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:10,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:10,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8
2025-08-31T09:29:10,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8
2025-08-31T09:29:10,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+
2025-08-31T09:29:10,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+
2025-08-31T09:29:10,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:10,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:10,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:10,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:10,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me
2025-08-31T09:29:10,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me
2025-08-31T09:29:10,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:10,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:10,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2
2025-08-31T09:29:10,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2
2025-08-31T09:29:10,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h
2025-08-31T09:29:10,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h
2025-08-31T09:29:10,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:10,777   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:10,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:10,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:10,783   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:10,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:10,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:10,788   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:10,790   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:10,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:10,794   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:10,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:10,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:10,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:10,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:10,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:10,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:10,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:10,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:10,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:10,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:10,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:10,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:10,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:10,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:10,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:10,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:10,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:10,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:10,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:10,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:10,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:10,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:10,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:10,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:10,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:10,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:10,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:10,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:10,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:10,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:10,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:10,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:10,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:10,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:10,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:10,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:10,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:10,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:10,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:10,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:10,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:10,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:10,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:10,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:10,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:10,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:10,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:10,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:10,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:10,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:10,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:10,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:10,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:10,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:10,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:10,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:10,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:10,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:10,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:10,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:10,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:10,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:10,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:10,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:10,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:10,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:10,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:10,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:10,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:10,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:10,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:10,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:10,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:10,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02
2025-08-31T09:29:10,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02
2025-08-31T09:29:10,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:10,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:10,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o
2025-08-31T09:29:10,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o
2025-08-31T09:29:10,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2
2025-08-31T09:29:10,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2
2025-08-31T09:29:10,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05
2025-08-31T09:29:10,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05
2025-08-31T09:29:10,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08
2025-08-31T09:29:10,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08
2025-08-31T09:29:10,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18
2025-08-31T09:29:10,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18
2025-08-31T09:29:10,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h
2025-08-31T09:29:10,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h
2025-08-31T09:29:10,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:10,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:10,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06
2025-08-31T09:29:10,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06
2025-08-31T09:29:10,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2
2025-08-31T09:29:10,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2
2025-08-31T09:29:10,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:10,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:10,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5
2025-08-31T09:29:10,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5
2025-08-31T09:29:10,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15
2025-08-31T09:29:10,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15
2025-08-31T09:29:10,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:10,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:10,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:10,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:10,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc
2025-08-31T09:29:10,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc
2025-08-31T09:29:10,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf
2025-08-31T09:29:11,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf
2025-08-31T09:29:11,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:11,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:11,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco
2025-08-31T09:29:11,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco
2025-08-31T09:29:11,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4
2025-08-31T09:29:11,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4
2025-08-31T09:29:11,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14
2025-08-31T09:29:11,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14
2025-08-31T09:29:11,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh
2025-08-31T09:29:11,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh
2025-08-31T09:29:11,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13
2025-08-31T09:29:11,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13
2025-08-31T09:29:11,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:11,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:11,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09
2025-08-31T09:29:11,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09
2025-08-31T09:29:11,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf
2025-08-31T09:29:11,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf
2025-08-31T09:29:11,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2
2025-08-31T09:29:11,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2
2025-08-31T09:29:11,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2
2025-08-31T09:29:11,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2
2025-08-31T09:29:11,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07
2025-08-31T09:29:11,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07
2025-08-31T09:29:11,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8
2025-08-31T09:29:11,050   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8
2025-08-31T09:29:11,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:11,054   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:11,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10
2025-08-31T09:29:11,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10
2025-08-31T09:29:11,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:11,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:11,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:11,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:11,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:11,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:11,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts
2025-08-31T09:29:11,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts
2025-08-31T09:29:11,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2
2025-08-31T09:29:11,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2
2025-08-31T09:29:11,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl
2025-08-31T09:29:11,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl
2025-08-31T09:29:11,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f
2025-08-31T09:29:11,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f
2025-08-31T09:29:11,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19
2025-08-31T09:29:11,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19
2025-08-31T09:29:11,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:11,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:11,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03
2025-08-31T09:29:11,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03
2025-08-31T09:29:11,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:11,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:11,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3
2025-08-31T09:29:11,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3
2025-08-31T09:29:11,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16
2025-08-31T09:29:11,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16
2025-08-31T09:29:11,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3
2025-08-31T09:29:11,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3
2025-08-31T09:29:11,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12
2025-08-31T09:29:11,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12
2025-08-31T09:29:11,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6
2025-08-31T09:29:11,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6
2025-08-31T09:29:11,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:11,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:11,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S
2025-08-31T09:29:11,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S
2025-08-31T09:29:11,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01
2025-08-31T09:29:11,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01
2025-08-31T09:29:11,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O
2025-08-31T09:29:11,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O
2025-08-31T09:29:11,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04
2025-08-31T09:29:11,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04
2025-08-31T09:29:11,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20
2025-08-31T09:29:11,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20
2025-08-31T09:29:11,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts
2025-08-31T09:29:11,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts
2025-08-31T09:29:11,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7
2025-08-31T09:29:11,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7
2025-08-31T09:29:11,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H
2025-08-31T09:29:11,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H
2025-08-31T09:29:11,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-
2025-08-31T09:29:11,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-
2025-08-31T09:29:11,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS
2025-08-31T09:29:11,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS
2025-08-31T09:29:11,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3
2025-08-31T09:29:11,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3
2025-08-31T09:29:11,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-
2025-08-31T09:29:11,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-
2025-08-31T09:29:11,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4
2025-08-31T09:29:11,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4
2025-08-31T09:29:11,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2
2025-08-31T09:29:11,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2
2025-08-31T09:29:11,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22
2025-08-31T09:29:11,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22
2025-08-31T09:29:11,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5
2025-08-31T09:29:11,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5
2025-08-31T09:29:11,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:11,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:11,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:11,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:11,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH
2025-08-31T09:29:11,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH
2025-08-31T09:29:11,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:11,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:11,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co
2025-08-31T09:29:11,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co
2025-08-31T09:29:11,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:11,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:11,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts
2025-08-31T09:29:11,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts
2025-08-31T09:29:11,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f
2025-08-31T09:29:11,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f
2025-08-31T09:29:11,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O
2025-08-31T09:29:11,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O
2025-08-31T09:29:11,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2
2025-08-31T09:29:11,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2
2025-08-31T09:29:11,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl
2025-08-31T09:29:11,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl
2025-08-31T09:29:11,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:11,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:11,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots
2025-08-31T09:29:11,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots
2025-08-31T09:29:11,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn
2025-08-31T09:29:11,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn
2025-08-31T09:29:11,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11
2025-08-31T09:29:11,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11
2025-08-31T09:29:11,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21
2025-08-31T09:29:11,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21
2025-08-31T09:29:11,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17
2025-08-31T09:29:11,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17
2025-08-31T09:29:11,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-
2025-08-31T09:29:11,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-
2025-08-31T09:29:11,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:11,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:11,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:11,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:11,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:11,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:11,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:11,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:11,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:11,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:11,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:11,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:11,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:11,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:11,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:11,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:11,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:11,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:11,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:11,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:11,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:11,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:11,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:11,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:11,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:11,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:11,313   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:11,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:11,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:11,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:11,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:11,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:11,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:11,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:11,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:11,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:11,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:11,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:11,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:11,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:11,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:11,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:11,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:11,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:11,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:11,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:11,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:11,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:11,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:11,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:11,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:11,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:11,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:11,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:11,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:11,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:11,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:11,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:11,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:11,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:11,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:11,378   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:11,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:11,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:11,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:11,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:11,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:11,390   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:11,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:11,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:11,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:11,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:11,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:11,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:11,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:11,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:11,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:11,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:11,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:11,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:11,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:11,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:11,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:11,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:11,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:11,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:11,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:11,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:11,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:11,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:11,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:11,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:11,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:11,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:11,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:11,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:11,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:11,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:11,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:11,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:11,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:11,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:11,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:11,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:11,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:11,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:11,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:11,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:11,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:11,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:11,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:11,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:11,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:11,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:11,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:11,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:11,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:11,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:11,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:11,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:11,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:11,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:11,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:11,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:11,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:11,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:11,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:11,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:11,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:11,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:11,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:11,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:11,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:11,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:11,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:11,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:11,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A
2025-08-31T09:29:11,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A
2025-08-31T09:29:11,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:11,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:11,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne
2025-08-31T09:29:11,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne
2025-08-31T09:29:11,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20
2025-08-31T09:29:11,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20
2025-08-31T09:29:11,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+
2025-08-31T09:29:11,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+
2025-08-31T09:29:11,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:11,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:11,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:11,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:11,548   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:11,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:11,552   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43
2025-08-31T09:29:11,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43
2025-08-31T09:29:11,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48
2025-08-31T09:29:11,557   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48
2025-08-31T09:29:11,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:11,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:11,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:11,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:11,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:11,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:11,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:11,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:11,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:11,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:11,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:11,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:11,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:11,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:11,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:11,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:11,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2
2025-08-31T09:29:11,593   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2
2025-08-31T09:29:11,595   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:11,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:11,599   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:11,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:11,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:11,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:11,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:11,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:11,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:11,611   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:11,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:11,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:11,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:11,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:11,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+
2025-08-31T09:29:11,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+
2025-08-31T09:29:11,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68
2025-08-31T09:29:11,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68
2025-08-31T09:29:11,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a
2025-08-31T09:29:11,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a
2025-08-31T09:29:11,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:11,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:11,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A
2025-08-31T09:29:11,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A
2025-08-31T09:29:11,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h
2025-08-31T09:29:11,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h
2025-08-31T09:29:11,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20
2025-08-31T09:29:11,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20
2025-08-31T09:29:11,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6
2025-08-31T09:29:11,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6
2025-08-31T09:29:11,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:11,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:11,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:11,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:11,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:11,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:11,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1
2025-08-31T09:29:11,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1
2025-08-31T09:29:11,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s
2025-08-31T09:29:11,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s
2025-08-31T09:29:11,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8
2025-08-31T09:29:11,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8
2025-08-31T09:29:11,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47
2025-08-31T09:29:11,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47
2025-08-31T09:29:11,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si
2025-08-31T09:29:11,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si
2025-08-31T09:29:11,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:11,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:11,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:11,689   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:11,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf
2025-08-31T09:29:11,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf
2025-08-31T09:29:11,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:11,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:11,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:11,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:11,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco
2025-08-31T09:29:11,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco
2025-08-31T09:29:11,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B
2025-08-31T09:29:11,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B
2025-08-31T09:29:11,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39
2025-08-31T09:29:11,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39
2025-08-31T09:29:11,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:11,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:11,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg
2025-08-31T09:29:11,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg
2025-08-31T09:29:11,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh
2025-08-31T09:29:11,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh
2025-08-31T09:29:11,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A
2025-08-31T09:29:11,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A
2025-08-31T09:29:11,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:11,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:11,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k
2025-08-31T09:29:11,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k
2025-08-31T09:29:11,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34
2025-08-31T09:29:11,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34
2025-08-31T09:29:11,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o
2025-08-31T09:29:11,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o
2025-08-31T09:29:11,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:11,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:11,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59
2025-08-31T09:29:11,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59
2025-08-31T09:29:11,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf
2025-08-31T09:29:11,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf
2025-08-31T09:29:11,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:11,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:11,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b
2025-08-31T09:29:11,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b
2025-08-31T09:29:11,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:11,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:11,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:11,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:11,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:11,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:11,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:11,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:11,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:11,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:11,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:11,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:11,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:11,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:11,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be
2025-08-31T09:29:11,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be
2025-08-31T09:29:11,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:11,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:11,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:11,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:11,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B
2025-08-31T09:29:11,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B
2025-08-31T09:29:11,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao
2025-08-31T09:29:11,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao
2025-08-31T09:29:11,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A
2025-08-31T09:29:11,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A
2025-08-31T09:29:11,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:11,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:11,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:11,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:11,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B
2025-08-31T09:29:11,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B
2025-08-31T09:29:11,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic
2025-08-31T09:29:11,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic
2025-08-31T09:29:11,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:11,828   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
2025-08-31T09:29:11,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:11,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:11,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2
2025-08-31T09:29:11,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2
2025-08-31T09:29:11,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c
2025-08-31T09:29:11,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c
2025-08-31T09:29:11,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:11,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:11,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24
2025-08-31T09:29:11,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24
2025-08-31T09:29:11,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B
2025-08-31T09:29:11,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B
2025-08-31T09:29:11,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:11,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:11,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b
2025-08-31T09:29:11,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b
2025-08-31T09:29:11,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25
2025-08-31T09:29:11,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25
2025-08-31T09:29:11,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:11,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:11,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:11,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:11,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1
2025-08-31T09:29:11,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1
2025-08-31T09:29:11,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:11,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:11,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:11,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:11,884   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:11,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:11,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl
2025-08-31T09:29:11,889   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl
2025-08-31T09:29:11,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:11,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:11,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f
2025-08-31T09:29:11,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f
2025-08-31T09:29:11,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf
2025-08-31T09:29:11,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf
2025-08-31T09:29:11,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B
2025-08-31T09:29:11,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B
2025-08-31T09:29:11,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:11,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:11,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:11,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:11,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20
2025-08-31T09:29:11,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20
2025-08-31T09:29:11,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:11,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:11,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:11,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:11,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh
2025-08-31T09:29:11,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh
2025-08-31T09:29:11,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:11,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:11,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:11,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:11,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73
2025-08-31T09:29:11,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73
2025-08-31T09:29:11,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5
2025-08-31T09:29:11,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5
2025-08-31T09:29:11,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:11,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:11,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:11,950   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:11,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:11,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:11,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:11,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:11,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A
2025-08-31T09:29:11,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A
2025-08-31T09:29:11,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:11,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:11,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:11,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:11,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:11,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:11,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:11,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:11,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:11,980   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
2025-08-31T09:29:11,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A
2025-08-31T09:29:11,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A
2025-08-31T09:29:11,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+
2025-08-31T09:29:11,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+
2025-08-31T09:29:11,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:11,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:11,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:11,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:11,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:12,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:12,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:12,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:12,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca
2025-08-31T09:29:12,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca
2025-08-31T09:29:12,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13
2025-08-31T09:29:12,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13
2025-08-31T09:29:12,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:12,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:12,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2
2025-08-31T09:29:12,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2
2025-08-31T09:29:12,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:12,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:12,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:12,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:12,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:12,030   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
2025-08-31T09:29:12,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+
2025-08-31T09:29:12,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+
2025-08-31T09:29:12,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:12,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:12,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45
2025-08-31T09:29:12,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45
2025-08-31T09:29:12,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al
2025-08-31T09:29:12,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al
2025-08-31T09:29:12,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18
2025-08-31T09:29:12,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18
2025-08-31T09:29:12,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:12,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:12,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:12,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:12,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58
2025-08-31T09:29:12,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58
2025-08-31T09:29:12,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:12,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:12,067   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:12,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:12,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:12,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:12,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B
2025-08-31T09:29:12,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B
2025-08-31T09:29:12,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr
2025-08-31T09:29:12,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr
2025-08-31T09:29:12,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A
2025-08-31T09:29:12,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A
2025-08-31T09:29:12,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B
2025-08-31T09:29:12,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B
2025-08-31T09:29:12,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40
2025-08-31T09:29:12,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40
2025-08-31T09:29:12,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:12,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:12,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:12,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:12,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:12,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:12,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A
2025-08-31T09:29:12,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A
2025-08-31T09:29:12,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh
2025-08-31T09:29:12,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh
2025-08-31T09:29:12,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:12,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:12,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:12,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:12,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:12,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:12,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:12,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:12,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:12,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:12,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:12,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:12,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:12,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:12,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:12,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:12,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:12,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:12,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:12,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:12,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar
2025-08-31T09:29:12,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar
2025-08-31T09:29:12,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4
2025-08-31T09:29:12,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4
2025-08-31T09:29:12,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:12,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:12,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he
2025-08-31T09:29:12,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he
2025-08-31T09:29:12,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:12,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:12,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:12,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:12,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:12,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:12,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:12,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:12,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:12,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:12,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:12,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:12,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:12,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:12,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:12,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:12,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:12,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:12,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:12,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:12,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:12,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:12,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:12,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:12,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:12,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:12,214   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:12,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:12,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:12,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:12,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:12,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:12,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:12,227   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:12,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:12,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:12,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:12,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:12,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:12,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:12,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:12,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:12,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:12,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:12,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:12,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:12,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:12,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:12,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:12,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:12,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:12,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:12,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:12,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:12,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:12,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:12,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:12,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:12,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene
2025-08-31T09:29:12,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene
2025-08-31T09:29:12,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine
2025-08-31T09:29:12,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine
2025-08-31T09:29:12,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1
2025-08-31T09:29:12,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1
2025-08-31T09:29:12,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X
2025-08-31T09:29:12,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X
2025-08-31T09:29:12,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5
2025-08-31T09:29:12,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5
2025-08-31T09:29:12,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3
2025-08-31T09:29:12,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3
2025-08-31T09:29:12,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6
2025-08-31T09:29:12,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6
2025-08-31T09:29:12,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane
2025-08-31T09:29:12,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane
2025-08-31T09:29:12,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4
2025-08-31T09:29:12,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4
2025-08-31T09:29:12,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8
2025-08-31T09:29:12,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8
2025-08-31T09:29:12,313   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X
2025-08-31T09:29:12,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X
2025-08-31T09:29:12,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2
2025-08-31T09:29:12,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2
2025-08-31T09:29:12,321   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X
2025-08-31T09:29:12,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X
2025-08-31T09:29:12,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:12,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:12,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene
2025-08-31T09:29:12,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene
2025-08-31T09:29:12,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X
2025-08-31T09:29:12,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X
2025-08-31T09:29:12,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9
2025-08-31T09:29:12,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9
2025-08-31T09:29:12,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7
2025-08-31T09:29:12,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7
2025-08-31T09:29:12,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein
2025-08-31T09:29:12,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein
2025-08-31T09:29:12,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10
2025-08-31T09:29:12,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10
2025-08-31T09:29:12,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene
2025-08-31T09:29:12,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene
2025-08-31T09:29:12,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:12,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:12,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:12,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:12,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:12,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:12,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:12,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:12,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:12,376   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:12,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:12,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:12,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:12,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:12,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:12,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:12,389   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:12,390   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:12,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:12,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:12,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:12,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:12,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:12,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:12,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:12,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:12,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:12,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:12,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:12,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:12,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:12,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:12,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:12,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:12,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:12,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:12,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:12,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:12,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:12,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:12,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:12,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:12,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:12,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:12,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6
2025-08-31T09:29:12,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6
2025-08-31T09:29:12,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8
2025-08-31T09:29:12,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8
2025-08-31T09:29:12,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9
2025-08-31T09:29:12,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9
2025-08-31T09:29:12,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2
2025-08-31T09:29:12,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2
2025-08-31T09:29:12,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1
2025-08-31T09:29:12,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1
2025-08-31T09:29:12,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10
2025-08-31T09:29:12,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10
2025-08-31T09:29:12,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5
2025-08-31T09:29:12,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5
2025-08-31T09:29:12,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7
2025-08-31T09:29:12,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7
2025-08-31T09:29:12,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3
2025-08-31T09:29:12,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3
2025-08-31T09:29:12,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4
2025-08-31T09:29:12,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4
2025-08-31T09:29:12,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04
2025-08-31T09:29:12,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04
2025-08-31T09:29:12,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11
2025-08-31T09:29:12,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11
2025-08-31T09:29:12,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b
2025-08-31T09:29:12,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b
2025-08-31T09:29:12,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a
2025-08-31T09:29:12,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a
2025-08-31T09:29:12,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15
2025-08-31T09:29:12,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15
2025-08-31T09:29:12,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09
2025-08-31T09:29:12,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09
2025-08-31T09:29:12,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20
2025-08-31T09:29:12,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20
2025-08-31T09:29:12,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b
2025-08-31T09:29:12,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b
2025-08-31T09:29:12,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01
2025-08-31T09:29:12,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01
2025-08-31T09:29:12,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b
2025-08-31T09:29:12,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b
2025-08-31T09:29:12,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a
2025-08-31T09:29:12,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a
2025-08-31T09:29:12,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06
2025-08-31T09:29:12,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06
2025-08-31T09:29:12,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a
2025-08-31T09:29:12,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a
2025-08-31T09:29:12,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a
2025-08-31T09:29:12,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a
2025-08-31T09:29:12,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14
2025-08-31T09:29:12,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14
2025-08-31T09:29:12,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b
2025-08-31T09:29:12,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b
2025-08-31T09:29:12,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22
2025-08-31T09:29:12,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22
2025-08-31T09:29:12,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b
2025-08-31T09:29:12,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b
2025-08-31T09:29:12,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a
2025-08-31T09:29:12,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a
2025-08-31T09:29:12,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b
2025-08-31T09:29:12,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b
2025-08-31T09:29:12,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a
2025-08-31T09:29:12,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a
2025-08-31T09:29:12,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07
2025-08-31T09:29:12,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07
2025-08-31T09:29:12,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a
2025-08-31T09:29:12,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a
2025-08-31T09:29:12,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a
2025-08-31T09:29:12,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a
2025-08-31T09:29:12,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19
2025-08-31T09:29:12,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19
2025-08-31T09:29:12,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b
2025-08-31T09:29:12,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b
2025-08-31T09:29:12,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16
2025-08-31T09:29:12,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16
2025-08-31T09:29:12,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b
2025-08-31T09:29:12,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b
2025-08-31T09:29:12,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a
2025-08-31T09:29:12,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a
2025-08-31T09:29:12,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b
2025-08-31T09:29:12,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b
2025-08-31T09:29:12,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03
2025-08-31T09:29:12,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03
2025-08-31T09:29:12,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05
2025-08-31T09:29:12,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05
2025-08-31T09:29:12,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a
2025-08-31T09:29:12,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a
2025-08-31T09:29:12,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08
2025-08-31T09:29:12,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08
2025-08-31T09:29:12,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a
2025-08-31T09:29:12,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a
2025-08-31T09:29:12,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a
2025-08-31T09:29:12,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a
2025-08-31T09:29:12,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b
2025-08-31T09:29:12,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b
2025-08-31T09:29:12,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10
2025-08-31T09:29:12,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10
2025-08-31T09:29:12,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a
2025-08-31T09:29:12,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a
2025-08-31T09:29:12,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a
2025-08-31T09:29:12,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a
2025-08-31T09:29:12,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a
2025-08-31T09:29:12,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a
2025-08-31T09:29:12,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b
2025-08-31T09:29:12,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b
2025-08-31T09:29:12,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a
2025-08-31T09:29:12,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a
2025-08-31T09:29:12,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12
2025-08-31T09:29:12,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12
2025-08-31T09:29:12,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a
2025-08-31T09:29:12,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a
2025-08-31T09:29:12,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02
2025-08-31T09:29:12,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02
2025-08-31T09:29:12,660   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a
2025-08-31T09:29:12,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a
2025-08-31T09:29:12,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13
2025-08-31T09:29:12,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13
2025-08-31T09:29:12,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b
2025-08-31T09:29:12,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b
2025-08-31T09:29:12,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18
2025-08-31T09:29:12,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18
2025-08-31T09:29:12,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a
2025-08-31T09:29:12,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a
2025-08-31T09:29:12,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a
2025-08-31T09:29:12,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a
2025-08-31T09:29:12,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a
2025-08-31T09:29:12,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a
2025-08-31T09:29:12,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21
2025-08-31T09:29:12,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21
2025-08-31T09:29:12,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b
2025-08-31T09:29:12,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b
2025-08-31T09:29:12,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17
2025-08-31T09:29:12,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17
2025-08-31T09:29:12,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a
2025-08-31T09:29:12,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a
2025-08-31T09:29:12,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9
2025-08-31T09:29:12,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9
2025-08-31T09:29:12,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4
2025-08-31T09:29:12,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4
2025-08-31T09:29:12,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9
2025-08-31T09:29:12,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9
2025-08-31T09:29:12,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13
2025-08-31T09:29:12,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13
2025-08-31T09:29:12,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5
2025-08-31T09:29:12,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5
2025-08-31T09:29:12,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4
2025-08-31T09:29:12,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4
2025-08-31T09:29:12,725   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7
2025-08-31T09:29:12,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7
2025-08-31T09:29:12,729   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8
2025-08-31T09:29:12,730   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8
2025-08-31T09:29:12,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5
2025-08-31T09:29:12,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5
2025-08-31T09:29:12,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5
2025-08-31T09:29:12,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5
2025-08-31T09:29:12,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11
2025-08-31T09:29:12,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11
2025-08-31T09:29:12,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10
2025-08-31T09:29:12,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10
2025-08-31T09:29:12,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15
2025-08-31T09:29:12,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15
2025-08-31T09:29:12,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1
2025-08-31T09:29:12,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1
2025-08-31T09:29:12,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14
2025-08-31T09:29:12,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14
2025-08-31T09:29:12,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4
2025-08-31T09:29:12,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4
2025-08-31T09:29:12,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16
2025-08-31T09:29:12,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16
2025-08-31T09:29:12,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13
2025-08-31T09:29:12,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13
2025-08-31T09:29:12,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6
2025-08-31T09:29:12,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6
2025-08-31T09:29:12,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3
2025-08-31T09:29:12,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3
2025-08-31T09:29:12,779   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2
2025-08-31T09:29:12,780   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2
2025-08-31T09:29:12,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6
2025-08-31T09:29:12,784   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6
2025-08-31T09:29:12,786   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12
2025-08-31T09:29:12,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12
2025-08-31T09:29:12,790   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11
2025-08-31T09:29:12,791   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11
2025-08-31T09:29:12,794   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1
2025-08-31T09:29:12,795   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1
2025-08-31T09:29:12,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3
2025-08-31T09:29:12,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3
2025-08-31T09:29:12,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3
2025-08-31T09:29:12,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3
2025-08-31T09:29:12,805   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2
2025-08-31T09:29:12,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2
2025-08-31T09:29:12,809   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10
2025-08-31T09:29:12,810   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10
2025-08-31T09:29:12,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:12,814   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:12,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12
2025-08-31T09:29:12,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12
2025-08-31T09:29:12,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15
2025-08-31T09:29:12,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15
2025-08-31T09:29:12,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7
2025-08-31T09:29:12,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7
2025-08-31T09:29:12,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14
2025-08-31T09:29:12,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14
2025-08-31T09:29:12,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8
2025-08-31T09:29:12,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8
2025-08-31T09:29:12,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1
2025-08-31T09:29:12,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1
2025-08-31T09:29:12,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4
2025-08-31T09:29:12,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4
2025-08-31T09:29:12,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2
2025-08-31T09:29:12,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2
2025-08-31T09:29:12,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04
2025-08-31T09:29:12,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04
2025-08-31T09:29:12,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A
2025-08-31T09:29:12,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A
2025-08-31T09:29:12,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B
2025-08-31T09:29:12,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B
2025-08-31T09:29:12,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B
2025-08-31T09:29:12,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B
2025-08-31T09:29:12,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23
2025-08-31T09:29:12,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23
2025-08-31T09:29:12,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A
2025-08-31T09:29:12,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A
2025-08-31T09:29:12,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A
2025-08-31T09:29:12,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A
2025-08-31T09:29:12,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B
2025-08-31T09:29:12,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B
2025-08-31T09:29:12,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B
2025-08-31T09:29:12,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B
2025-08-31T09:29:12,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B
2025-08-31T09:29:12,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B
2025-08-31T09:29:12,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A
2025-08-31T09:29:12,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A
2025-08-31T09:29:12,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43
2025-08-31T09:29:12,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43
2025-08-31T09:29:12,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48
2025-08-31T09:29:12,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48
2025-08-31T09:29:12,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A
2025-08-31T09:29:12,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A
2025-08-31T09:29:12,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11
2025-08-31T09:29:12,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11
2025-08-31T09:29:12,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B
2025-08-31T09:29:12,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B
2025-08-31T09:29:12,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B
2025-08-31T09:29:12,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B
2025-08-31T09:29:12,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A
2025-08-31T09:29:12,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A
2025-08-31T09:29:12,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A
2025-08-31T09:29:12,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A
2025-08-31T09:29:12,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A
2025-08-31T09:29:12,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A
2025-08-31T09:29:12,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B
2025-08-31T09:29:12,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B
2025-08-31T09:29:12,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A
2025-08-31T09:29:12,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A
2025-08-31T09:29:12,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A
2025-08-31T09:29:12,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A
2025-08-31T09:29:12,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A
2025-08-31T09:29:12,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A
2025-08-31T09:29:12,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B
2025-08-31T09:29:12,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B
2025-08-31T09:29:12,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31
2025-08-31T09:29:12,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31
2025-08-31T09:29:12,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A
2025-08-31T09:29:12,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A
2025-08-31T09:29:12,949   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B
2025-08-31T09:29:12,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B
2025-08-31T09:29:12,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A
2025-08-31T09:29:12,954   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A
2025-08-31T09:29:12,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B
2025-08-31T09:29:12,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B
2025-08-31T09:29:12,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A
2025-08-31T09:29:12,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A
2025-08-31T09:29:12,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15
2025-08-31T09:29:12,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15
2025-08-31T09:29:12,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B
2025-08-31T09:29:12,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B
2025-08-31T09:29:12,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09
2025-08-31T09:29:12,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09
2025-08-31T09:29:12,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B
2025-08-31T09:29:12,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B
2025-08-31T09:29:12,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56
2025-08-31T09:29:12,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56
2025-08-31T09:29:12,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B
2025-08-31T09:29:12,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B
2025-08-31T09:29:12,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55
2025-08-31T09:29:12,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55
2025-08-31T09:29:12,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20
2025-08-31T09:29:12,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20
2025-08-31T09:29:12,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A
2025-08-31T09:29:12,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A
2025-08-31T09:29:12,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A
2025-08-31T09:29:13,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A
2025-08-31T09:29:13,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B
2025-08-31T09:29:13,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B
2025-08-31T09:29:13,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A
2025-08-31T09:29:13,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A
2025-08-31T09:29:13,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A
2025-08-31T09:29:13,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A
2025-08-31T09:29:13,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A
2025-08-31T09:29:13,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A
2025-08-31T09:29:13,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36
2025-08-31T09:29:13,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36
2025-08-31T09:29:13,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A
2025-08-31T09:29:13,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A
2025-08-31T09:29:13,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01
2025-08-31T09:29:13,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01
2025-08-31T09:29:13,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B
2025-08-31T09:29:13,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B
2025-08-31T09:29:13,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47
2025-08-31T09:29:13,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47
2025-08-31T09:29:13,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A
2025-08-31T09:29:13,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A
2025-08-31T09:29:13,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B
2025-08-31T09:29:13,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B
2025-08-31T09:29:13,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64
2025-08-31T09:29:13,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64
2025-08-31T09:29:13,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06
2025-08-31T09:29:13,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06
2025-08-31T09:29:13,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B
2025-08-31T09:29:13,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B
2025-08-31T09:29:13,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32
2025-08-31T09:29:13,058   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32
2025-08-31T09:29:13,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B
2025-08-31T09:29:13,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B
2025-08-31T09:29:13,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B
2025-08-31T09:29:13,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B
2025-08-31T09:29:13,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39
2025-08-31T09:29:13,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39
2025-08-31T09:29:13,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A
2025-08-31T09:29:13,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A
2025-08-31T09:29:13,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A
2025-08-31T09:29:13,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A
2025-08-31T09:29:13,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A
2025-08-31T09:29:13,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A
2025-08-31T09:29:13,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B
2025-08-31T09:29:13,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B
2025-08-31T09:29:13,087   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B
2025-08-31T09:29:13,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B
2025-08-31T09:29:13,091   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B
2025-08-31T09:29:13,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B
2025-08-31T09:29:13,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14
2025-08-31T09:29:13,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14
2025-08-31T09:29:13,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A
2025-08-31T09:29:13,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A
2025-08-31T09:29:13,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A
2025-08-31T09:29:13,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A
2025-08-31T09:29:13,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A
2025-08-31T09:29:13,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A
2025-08-31T09:29:13,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34
2025-08-31T09:29:13,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34
2025-08-31T09:29:13,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A
2025-08-31T09:29:13,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A
2025-08-31T09:29:13,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38
2025-08-31T09:29:13,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38
2025-08-31T09:29:13,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B
2025-08-31T09:29:13,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B
2025-08-31T09:29:13,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22
2025-08-31T09:29:13,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22
2025-08-31T09:29:13,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B
2025-08-31T09:29:13,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B
2025-08-31T09:29:13,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B
2025-08-31T09:29:13,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B
2025-08-31T09:29:13,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59
2025-08-31T09:29:13,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59
2025-08-31T09:29:13,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B
2025-08-31T09:29:13,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B
2025-08-31T09:29:13,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B
2025-08-31T09:29:13,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B
2025-08-31T09:29:13,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B
2025-08-31T09:29:13,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B
2025-08-31T09:29:13,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51
2025-08-31T09:29:13,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51
2025-08-31T09:29:13,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A
2025-08-31T09:29:13,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A
2025-08-31T09:29:13,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B
2025-08-31T09:29:13,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B
2025-08-31T09:29:13,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60
2025-08-31T09:29:13,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60
2025-08-31T09:29:13,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B
2025-08-31T09:29:13,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B
2025-08-31T09:29:13,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B
2025-08-31T09:29:13,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B
2025-08-31T09:29:13,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A
2025-08-31T09:29:13,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A
2025-08-31T09:29:13,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B
2025-08-31T09:29:13,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B
2025-08-31T09:29:13,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A
2025-08-31T09:29:13,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A
2025-08-31T09:29:13,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07
2025-08-31T09:29:13,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07
2025-08-31T09:29:13,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A
2025-08-31T09:29:13,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A
2025-08-31T09:29:13,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A
2025-08-31T09:29:13,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A
2025-08-31T09:29:13,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29
2025-08-31T09:29:13,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29
2025-08-31T09:29:13,214   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B
2025-08-31T09:29:13,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B
2025-08-31T09:29:13,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B
2025-08-31T09:29:13,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B
2025-08-31T09:29:13,222   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A
2025-08-31T09:29:13,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A
2025-08-31T09:29:13,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A
2025-08-31T09:29:13,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A
2025-08-31T09:29:13,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B
2025-08-31T09:29:13,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B
2025-08-31T09:29:13,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A
2025-08-31T09:29:13,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A
2025-08-31T09:29:13,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A
2025-08-31T09:29:13,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A
2025-08-31T09:29:13,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B
2025-08-31T09:29:13,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B
2025-08-31T09:29:13,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B
2025-08-31T09:29:13,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B
2025-08-31T09:29:13,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B
2025-08-31T09:29:13,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B
2025-08-31T09:29:13,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A
2025-08-31T09:29:13,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A
2025-08-31T09:29:13,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B
2025-08-31T09:29:13,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B
2025-08-31T09:29:13,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19
2025-08-31T09:29:13,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19
2025-08-31T09:29:13,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A
2025-08-31T09:29:13,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A
2025-08-31T09:29:13,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A
2025-08-31T09:29:13,275   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A
2025-08-31T09:29:13,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A
2025-08-31T09:29:13,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A
2025-08-31T09:29:13,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B
2025-08-31T09:29:13,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B
2025-08-31T09:29:13,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B
2025-08-31T09:29:13,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B
2025-08-31T09:29:13,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24
2025-08-31T09:29:13,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24
2025-08-31T09:29:13,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A
2025-08-31T09:29:13,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A
2025-08-31T09:29:13,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54
2025-08-31T09:29:13,298   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54
2025-08-31T09:29:13,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33
2025-08-31T09:29:13,302   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33
2025-08-31T09:29:13,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25
2025-08-31T09:29:13,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25
2025-08-31T09:29:13,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28
2025-08-31T09:29:13,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28
2025-08-31T09:29:13,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35
2025-08-31T09:29:13,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35
2025-08-31T09:29:13,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B
2025-08-31T09:29:13,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B
2025-08-31T09:29:13,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50
2025-08-31T09:29:13,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50
2025-08-31T09:29:13,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16
2025-08-31T09:29:13,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16
2025-08-31T09:29:13,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26
2025-08-31T09:29:13,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26
2025-08-31T09:29:13,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A
2025-08-31T09:29:13,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A
2025-08-31T09:29:13,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A
2025-08-31T09:29:13,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A
2025-08-31T09:29:13,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A
2025-08-31T09:29:13,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A
2025-08-31T09:29:13,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A
2025-08-31T09:29:13,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A
2025-08-31T09:29:13,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B
2025-08-31T09:29:13,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B
2025-08-31T09:29:13,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03
2025-08-31T09:29:13,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03
2025-08-31T09:29:13,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A
2025-08-31T09:29:13,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A
2025-08-31T09:29:13,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B
2025-08-31T09:29:13,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B
2025-08-31T09:29:13,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05
2025-08-31T09:29:13,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05
2025-08-31T09:29:13,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52
2025-08-31T09:29:13,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52
2025-08-31T09:29:13,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66
2025-08-31T09:29:13,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66
2025-08-31T09:29:13,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08
2025-08-31T09:29:13,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08
2025-08-31T09:29:13,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B
2025-08-31T09:29:13,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B
2025-08-31T09:29:13,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B
2025-08-31T09:29:13,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B
2025-08-31T09:29:13,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A
2025-08-31T09:29:13,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A
2025-08-31T09:29:13,389   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B
2025-08-31T09:29:13,390   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B
2025-08-31T09:29:13,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A
2025-08-31T09:29:13,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A
2025-08-31T09:29:13,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B
2025-08-31T09:29:13,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B
2025-08-31T09:29:13,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A
2025-08-31T09:29:13,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A
2025-08-31T09:29:13,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10
2025-08-31T09:29:13,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10
2025-08-31T09:29:13,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65
2025-08-31T09:29:13,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65
2025-08-31T09:29:13,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B
2025-08-31T09:29:13,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B
2025-08-31T09:29:13,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A
2025-08-31T09:29:13,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A
2025-08-31T09:29:13,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B
2025-08-31T09:29:13,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B
2025-08-31T09:29:13,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A
2025-08-31T09:29:13,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A
2025-08-31T09:29:13,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B
2025-08-31T09:29:13,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B
2025-08-31T09:29:13,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B
2025-08-31T09:29:13,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B
2025-08-31T09:29:13,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41
2025-08-31T09:29:13,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41
2025-08-31T09:29:13,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B
2025-08-31T09:29:13,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B
2025-08-31T09:29:13,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37
2025-08-31T09:29:13,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37
2025-08-31T09:29:13,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49
2025-08-31T09:29:13,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49
2025-08-31T09:29:13,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12
2025-08-31T09:29:13,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12
2025-08-31T09:29:13,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A
2025-08-31T09:29:13,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A
2025-08-31T09:29:13,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02
2025-08-31T09:29:13,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02
2025-08-31T09:29:13,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B
2025-08-31T09:29:13,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B
2025-08-31T09:29:13,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13
2025-08-31T09:29:13,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13
2025-08-31T09:29:13,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B
2025-08-31T09:29:13,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B
2025-08-31T09:29:13,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B
2025-08-31T09:29:13,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B
2025-08-31T09:29:13,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45
2025-08-31T09:29:13,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45
2025-08-31T09:29:13,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62
2025-08-31T09:29:13,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62
2025-08-31T09:29:13,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18
2025-08-31T09:29:13,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18
2025-08-31T09:29:13,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B
2025-08-31T09:29:13,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B
2025-08-31T09:29:13,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B
2025-08-31T09:29:13,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B
2025-08-31T09:29:13,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58
2025-08-31T09:29:13,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58
2025-08-31T09:29:13,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B
2025-08-31T09:29:13,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B
2025-08-31T09:29:13,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A
2025-08-31T09:29:13,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A
2025-08-31T09:29:13,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40
2025-08-31T09:29:13,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40
2025-08-31T09:29:13,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63
2025-08-31T09:29:13,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63
2025-08-31T09:29:13,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61
2025-08-31T09:29:13,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61
2025-08-31T09:29:13,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A
2025-08-31T09:29:13,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A
2025-08-31T09:29:13,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B
2025-08-31T09:29:13,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B
2025-08-31T09:29:13,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A
2025-08-31T09:29:13,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A
2025-08-31T09:29:13,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B
2025-08-31T09:29:13,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B
2025-08-31T09:29:13,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A
2025-08-31T09:29:13,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A
2025-08-31T09:29:13,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30
2025-08-31T09:29:13,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30
2025-08-31T09:29:13,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21
2025-08-31T09:29:13,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21
2025-08-31T09:29:13,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B
2025-08-31T09:29:13,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B
2025-08-31T09:29:13,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A
2025-08-31T09:29:13,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A
2025-08-31T09:29:13,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A
2025-08-31T09:29:13,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A
2025-08-31T09:29:13,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27
2025-08-31T09:29:13,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27
2025-08-31T09:29:13,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53
2025-08-31T09:29:13,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53
2025-08-31T09:29:13,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44
2025-08-31T09:29:13,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44
2025-08-31T09:29:13,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A
2025-08-31T09:29:13,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A
2025-08-31T09:29:13,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42
2025-08-31T09:29:13,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42
2025-08-31T09:29:13,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46
2025-08-31T09:29:13,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46
2025-08-31T09:29:13,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A
2025-08-31T09:29:13,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A
2025-08-31T09:29:13,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B
2025-08-31T09:29:13,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B
2025-08-31T09:29:13,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A
2025-08-31T09:29:13,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A
2025-08-31T09:29:13,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A
2025-08-31T09:29:13,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A
2025-08-31T09:29:13,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57
2025-08-31T09:29:13,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57
2025-08-31T09:29:13,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17
2025-08-31T09:29:13,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17
2025-08-31T09:29:13,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B
2025-08-31T09:29:13,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B
2025-08-31T09:29:13,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A
2025-08-31T09:29:13,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A
2025-08-31T09:29:13,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A
2025-08-31T09:29:13,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A
2025-08-31T09:29:13,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A
2025-08-31T09:29:13,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A
2025-08-31T09:29:13,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B
2025-08-31T09:29:13,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B
2025-08-31T09:29:13,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:29:13,633   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
2025-08-31T09:29:13,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5
2025-08-31T09:29:13,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5
2025-08-31T09:29:13,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3
2025-08-31T09:29:13,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3
2025-08-31T09:29:13,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:29:13,644   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
2025-08-31T09:29:13,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:29:13,648   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
2025-08-31T09:29:13,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:29:13,652   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
2025-08-31T09:29:13,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf
2025-08-31T09:29:13,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf
2025-08-31T09:29:13,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6
2025-08-31T09:29:13,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6
2025-08-31T09:29:13,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:13,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:13,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:29:13,667   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
2025-08-31T09:29:13,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:13,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:13,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:13,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:13,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:13,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:13,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:29:13,682   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
2025-08-31T09:29:13,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:29:13,686   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
2025-08-31T09:29:13,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:29:13,690   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
2025-08-31T09:29:13,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4
2025-08-31T09:29:13,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4
2025-08-31T09:29:13,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:13,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:13,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o
2025-08-31T09:29:13,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o
2025-08-31T09:29:13,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:29:13,705   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
2025-08-31T09:29:13,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:29:13,708   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
2025-08-31T09:29:13,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:29:13,712   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
2025-08-31T09:29:13,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:13,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:13,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:13,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:13,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2
2025-08-31T09:29:13,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2
2025-08-31T09:29:13,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:29:13,727   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
2025-08-31T09:29:13,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:29:13,731   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
2025-08-31T09:29:13,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:13,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:13,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3
2025-08-31T09:29:13,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3
2025-08-31T09:29:13,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+
2025-08-31T09:29:13,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+
2025-08-31T09:29:13,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:13,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:13,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+
2025-08-31T09:29:13,749   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+
2025-08-31T09:29:13,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43
2025-08-31T09:29:13,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43
2025-08-31T09:29:13,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48
2025-08-31T09:29:13,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48
2025-08-31T09:29:13,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11
2025-08-31T09:29:13,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11
2025-08-31T09:29:13,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:13,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:13,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n
2025-08-31T09:29:13,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n
2025-08-31T09:29:13,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li
2025-08-31T09:29:13,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li
2025-08-31T09:29:13,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:13,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:13,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+
2025-08-31T09:29:13,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+
2025-08-31T09:29:13,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:13,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:13,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h
2025-08-31T09:29:13,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h
2025-08-31T09:29:13,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20
2025-08-31T09:29:13,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20
2025-08-31T09:29:13,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:13,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:13,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s
2025-08-31T09:29:13,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s
2025-08-31T09:29:13,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8
2025-08-31T09:29:13,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8
2025-08-31T09:29:13,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si
2025-08-31T09:29:13,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si
2025-08-31T09:29:13,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na
2025-08-31T09:29:13,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na
2025-08-31T09:29:13,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg
2025-08-31T09:29:13,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg
2025-08-31T09:29:13,813   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+
2025-08-31T09:29:13,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+
2025-08-31T09:29:13,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:13,818   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:13,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14
2025-08-31T09:29:13,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14
2025-08-31T09:29:13,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:13,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:13,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34
2025-08-31T09:29:13,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34
2025-08-31T09:29:13,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o
2025-08-31T09:29:13,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o
2025-08-31T09:29:13,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22
2025-08-31T09:29:13,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22
2025-08-31T09:29:13,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:13,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:13,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+
2025-08-31T09:29:13,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+
2025-08-31T09:29:13,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51
2025-08-31T09:29:13,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51
2025-08-31T09:29:13,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:13,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:13,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:13,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:13,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+
2025-08-31T09:29:13,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+
2025-08-31T09:29:13,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be
2025-08-31T09:29:13,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be
2025-08-31T09:29:13,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+
2025-08-31T09:29:13,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+
2025-08-31T09:29:13,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:13,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:13,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p
2025-08-31T09:29:13,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p
2025-08-31T09:29:13,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:13,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:13,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c
2025-08-31T09:29:13,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c
2025-08-31T09:29:13,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19
2025-08-31T09:29:13,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19
2025-08-31T09:29:13,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b
2025-08-31T09:29:13,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b
2025-08-31T09:29:13,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25
2025-08-31T09:29:13,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25
2025-08-31T09:29:13,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+
2025-08-31T09:29:13,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+
2025-08-31T09:29:13,898   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:13,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:13,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26
2025-08-31T09:29:13,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26
2025-08-31T09:29:13,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl
2025-08-31T09:29:13,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl
2025-08-31T09:29:13,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f
2025-08-31T09:29:13,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f
2025-08-31T09:29:13,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:13,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:13,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+
2025-08-31T09:29:13,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+
2025-08-31T09:29:13,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:13,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:13,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137
2025-08-31T09:29:13,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137
2025-08-31T09:29:13,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:13,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:13,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+
2025-08-31T09:29:13,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+
2025-08-31T09:29:13,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+
2025-08-31T09:29:13,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+
2025-08-31T09:29:13,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:13,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:13,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+
2025-08-31T09:29:13,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+
2025-08-31T09:29:13,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37
2025-08-31T09:29:13,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37
2025-08-31T09:29:13,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12
2025-08-31T09:29:13,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12
2025-08-31T09:29:13,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13
2025-08-31T09:29:13,954   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13
2025-08-31T09:29:13,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+
2025-08-31T09:29:13,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+
2025-08-31T09:29:13,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45
2025-08-31T09:29:13,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45
2025-08-31T09:29:13,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al
2025-08-31T09:29:13,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al
2025-08-31T09:29:13,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:13,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:13,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18
2025-08-31T09:29:13,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18
2025-08-31T09:29:13,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:13,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:13,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:13,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:13,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:13,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:13,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30
2025-08-31T09:29:13,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30
2025-08-31T09:29:13,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:13,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:13,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44
2025-08-31T09:29:13,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44
2025-08-31T09:29:13,997   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+
2025-08-31T09:29:13,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+
2025-08-31T09:29:14,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7
2025-08-31T09:29:14,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7
2025-08-31T09:29:14,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2
2025-08-31T09:29:14,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2
2025-08-31T09:29:14,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1
2025-08-31T09:29:14,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1
2025-08-31T09:29:14,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11
2025-08-31T09:29:14,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11
2025-08-31T09:29:14,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4
2025-08-31T09:29:14,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4
2025-08-31T09:29:14,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10
2025-08-31T09:29:14,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10
2025-08-31T09:29:14,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3
2025-08-31T09:29:14,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3
2025-08-31T09:29:14,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4
2025-08-31T09:29:14,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4
2025-08-31T09:29:14,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15
2025-08-31T09:29:14,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15
2025-08-31T09:29:14,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6
2025-08-31T09:29:14,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6
2025-08-31T09:29:14,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1
2025-08-31T09:29:14,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1
2025-08-31T09:29:14,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8
2025-08-31T09:29:14,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8
2025-08-31T09:29:14,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12
2025-08-31T09:29:14,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12
2025-08-31T09:29:14,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14
2025-08-31T09:29:14,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14
2025-08-31T09:29:14,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13
2025-08-31T09:29:14,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13
2025-08-31T09:29:14,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9
2025-08-31T09:29:14,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9
2025-08-31T09:29:14,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3
2025-08-31T09:29:14,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3
2025-08-31T09:29:14,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5
2025-08-31T09:29:14,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5
2025-08-31T09:29:14,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2
2025-08-31T09:29:14,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2
2025-08-31T09:29:14,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42
2025-08-31T09:29:14,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42
2025-08-31T09:29:14,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:14,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:14,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1
2025-08-31T09:29:14,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1
2025-08-31T09:29:14,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0
2025-08-31T09:29:14,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0
2025-08-31T09:29:14,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0
2025-08-31T09:29:14,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0
2025-08-31T09:29:14,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:14,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:14,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2
2025-08-31T09:29:14,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2
2025-08-31T09:29:14,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:14,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:14,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:14,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:14,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:14,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:14,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2
2025-08-31T09:29:14,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2
2025-08-31T09:29:14,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0
2025-08-31T09:29:14,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0
2025-08-31T09:29:14,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:14,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:14,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:14,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:14,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:14,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:14,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:14,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:14,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0
2025-08-31T09:29:14,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0
2025-08-31T09:29:14,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1
2025-08-31T09:29:14,138   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1
2025-08-31T09:29:14,140   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:14,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:14,144   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2
2025-08-31T09:29:14,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2
2025-08-31T09:29:14,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4
2025-08-31T09:29:14,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4
2025-08-31T09:29:14,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2
2025-08-31T09:29:14,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2
2025-08-31T09:29:14,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:14,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:14,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3
2025-08-31T09:29:14,161   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3
2025-08-31T09:29:14,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3
2025-08-31T09:29:14,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3
2025-08-31T09:29:14,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2
2025-08-31T09:29:14,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2
2025-08-31T09:29:14,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41
2025-08-31T09:29:14,172   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41
2025-08-31T09:29:14,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1
2025-08-31T09:29:14,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1
2025-08-31T09:29:14,178   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0
2025-08-31T09:29:14,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0
2025-08-31T09:29:14,182   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3
2025-08-31T09:29:14,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3
2025-08-31T09:29:14,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:14,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:14,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:14,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:14,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:14,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:14,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:14,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:14,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:14,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:14,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:14,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:14,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:14,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:14,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:14,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:14,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:14,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:14,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:14,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:14,222   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:14,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:14,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:14,227   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:14,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:14,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:14,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470
2025-08-31T09:29:14,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470
2025-08-31T09:29:14,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691
2025-08-31T09:29:14,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691
2025-08-31T09:29:14,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:14,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:14,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224
2025-08-31T09:29:14,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224
2025-08-31T09:29:14,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:14,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:14,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366
2025-08-31T09:29:14,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366
2025-08-31T09:29:14,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300
2025-08-31T09:29:14,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300
2025-08-31T09:29:14,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:14,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:14,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:14,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:14,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412
2025-08-31T09:29:14,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412
2025-08-31T09:29:14,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99
2025-08-31T09:29:14,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99
2025-08-31T09:29:14,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:14,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:14,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357
2025-08-31T09:29:14,279   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357
2025-08-31T09:29:14,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:14,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:14,285   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:14,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:14,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114
2025-08-31T09:29:14,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114
2025-08-31T09:29:14,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:14,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:14,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444
2025-08-31T09:29:14,298   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444
2025-08-31T09:29:14,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:14,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:14,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:14,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:14,308   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215
2025-08-31T09:29:14,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215
2025-08-31T09:29:14,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:14,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:14,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:14,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:14,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:14,321   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:14,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:14,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:14,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:14,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:14,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:14,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:14,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:14,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:14,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:14,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:14,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:14,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:14,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:14,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:14,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:14,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:14,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be
2025-08-31T09:29:14,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be
2025-08-31T09:29:14,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:14,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:14,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:14,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:14,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:14,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:14,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:14,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:14,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:14,374   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:14,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:14,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:14,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:14,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:14,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:14,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:14,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn
2025-08-31T09:29:14,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn
2025-08-31T09:29:14,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:14,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:14,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:14,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:14,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf
2025-08-31T09:29:14,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf
2025-08-31T09:29:14,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo
2025-08-31T09:29:14,453   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
2025-08-31T09:29:14,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:14,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:14,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3
2025-08-31T09:29:14,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3
2025-08-31T09:29:14,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn
2025-08-31T09:29:14,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn
2025-08-31T09:29:14,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf
2025-08-31T09:29:14,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf
2025-08-31T09:29:14,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2
2025-08-31T09:29:14,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2
2025-08-31T09:29:14,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo
2025-08-31T09:29:14,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo
2025-08-31T09:29:14,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:29:14,479   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
2025-08-31T09:29:14,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf
2025-08-31T09:29:14,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf
2025-08-31T09:29:14,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o
2025-08-31T09:29:14,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o
2025-08-31T09:29:14,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:29:14,491   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
2025-08-31T09:29:14,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n
2025-08-31T09:29:14,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n
2025-08-31T09:29:14,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2
2025-08-31T09:29:14,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2
2025-08-31T09:29:14,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:29:14,502   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
2025-08-31T09:29:14,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco
2025-08-31T09:29:14,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco
2025-08-31T09:29:14,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:14,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:14,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc
2025-08-31T09:29:14,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc
2025-08-31T09:29:14,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:14,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:14,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2
2025-08-31T09:29:14,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2
2025-08-31T09:29:14,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4
2025-08-31T09:29:14,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4
2025-08-31T09:29:14,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio
2025-08-31T09:29:14,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio
2025-08-31T09:29:14,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o
2025-08-31T09:29:14,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o
2025-08-31T09:29:14,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:14,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:14,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs
2025-08-31T09:29:14,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs
2025-08-31T09:29:14,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h
2025-08-31T09:29:14,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h
2025-08-31T09:29:14,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:14,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:14,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo
2025-08-31T09:29:14,552   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
2025-08-31T09:29:14,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne
2025-08-31T09:29:14,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne
2025-08-31T09:29:14,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn
2025-08-31T09:29:14,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn
2025-08-31T09:29:14,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:29:14,563   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
2025-08-31T09:29:14,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s
2025-08-31T09:29:14,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s
2025-08-31T09:29:14,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si
2025-08-31T09:29:14,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si
2025-08-31T09:29:14,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:14,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:14,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc
2025-08-31T09:29:14,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc
2025-08-31T09:29:14,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3
2025-08-31T09:29:14,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3
2025-08-31T09:29:14,584   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs
2025-08-31T09:29:14,586   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs
2025-08-31T09:29:14,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf
2025-08-31T09:29:14,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf
2025-08-31T09:29:14,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo
2025-08-31T09:29:14,593   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo
2025-08-31T09:29:14,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco
2025-08-31T09:29:14,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco
2025-08-31T09:29:14,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf
2025-08-31T09:29:14,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf
2025-08-31T09:29:14,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:14,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:14,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic
2025-08-31T09:29:14,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic
2025-08-31T09:29:14,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh
2025-08-31T09:29:14,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh
2025-08-31T09:29:14,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co
2025-08-31T09:29:14,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co
2025-08-31T09:29:14,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o
2025-08-31T09:29:14,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o
2025-08-31T09:29:14,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh
2025-08-31T09:29:14,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh
2025-08-31T09:29:14,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4
2025-08-31T09:29:14,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4
2025-08-31T09:29:14,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2
2025-08-31T09:29:14,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2
2025-08-31T09:29:14,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf
2025-08-31T09:29:14,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf
2025-08-31T09:29:14,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4
2025-08-31T09:29:14,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4
2025-08-31T09:29:14,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh
2025-08-31T09:29:14,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh
2025-08-31T09:29:14,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:14,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:14,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf
2025-08-31T09:29:14,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf
2025-08-31T09:29:14,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2
2025-08-31T09:29:14,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2
2025-08-31T09:29:14,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch
2025-08-31T09:29:14,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch
2025-08-31T09:29:14,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so
2025-08-31T09:29:14,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so
2025-08-31T09:29:14,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof
2025-08-31T09:29:14,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof
2025-08-31T09:29:14,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:14,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:14,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3
2025-08-31T09:29:14,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3
2025-08-31T09:29:14,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h
2025-08-31T09:29:14,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h
2025-08-31T09:29:14,682   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:14,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:14,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2
2025-08-31T09:29:14,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2
2025-08-31T09:29:14,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be
2025-08-31T09:29:14,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be
2025-08-31T09:29:14,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof
2025-08-31T09:29:14,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof
2025-08-31T09:29:14,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:14,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:14,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo
2025-08-31T09:29:14,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo
2025-08-31T09:29:14,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3
2025-08-31T09:29:14,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3
2025-08-31T09:29:14,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p
2025-08-31T09:29:14,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p
2025-08-31T09:29:14,714   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic
2025-08-31T09:29:14,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic
2025-08-31T09:29:14,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif
2025-08-31T09:29:14,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif
2025-08-31T09:29:14,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c
2025-08-31T09:29:14,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c
2025-08-31T09:29:14,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2
2025-08-31T09:29:14,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2
2025-08-31T09:29:14,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:14,733   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:14,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene
2025-08-31T09:29:14,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene
2025-08-31T09:29:14,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol
2025-08-31T09:29:14,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol
2025-08-31T09:29:14,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3
2025-08-31T09:29:14,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3
2025-08-31T09:29:14,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:29:14,748   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
2025-08-31T09:29:14,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b
2025-08-31T09:29:14,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b
2025-08-31T09:29:14,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof
2025-08-31T09:29:14,756   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof
2025-08-31T09:29:14,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono
2025-08-31T09:29:14,760   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
2025-08-31T09:29:14,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:29:14,764   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
2025-08-31T09:29:14,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2
2025-08-31T09:29:14,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2
2025-08-31T09:29:14,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl
2025-08-31T09:29:14,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl
2025-08-31T09:29:14,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f
2025-08-31T09:29:14,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f
2025-08-31T09:29:14,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o
2025-08-31T09:29:14,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o
2025-08-31T09:29:14,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2
2025-08-31T09:29:14,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2
2025-08-31T09:29:14,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn
2025-08-31T09:29:14,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn
2025-08-31T09:29:14,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:14,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:14,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:14,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:14,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene
2025-08-31T09:29:14,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene
2025-08-31T09:29:14,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4
2025-08-31T09:29:14,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4
2025-08-31T09:29:14,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:14,808   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:14,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2
2025-08-31T09:29:14,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2
2025-08-31T09:29:14,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:29:14,816   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
2025-08-31T09:29:14,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl
2025-08-31T09:29:14,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl
2025-08-31T09:29:14,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo
2025-08-31T09:29:14,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo
2025-08-31T09:29:14,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2
2025-08-31T09:29:14,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2
2025-08-31T09:29:14,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:14,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:14,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:14,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:14,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh
2025-08-31T09:29:14,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh
2025-08-31T09:29:14,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2
2025-08-31T09:29:14,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2
2025-08-31T09:29:14,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh
2025-08-31T09:29:14,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh
2025-08-31T09:29:14,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl
2025-08-31T09:29:14,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl
2025-08-31T09:29:14,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s
2025-08-31T09:29:14,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s
2025-08-31T09:29:14,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3
2025-08-31T09:29:14,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3
2025-08-31T09:29:14,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:14,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:14,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:14,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:14,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane
2025-08-31T09:29:14,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane
2025-08-31T09:29:14,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch
2025-08-31T09:29:14,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch
2025-08-31T09:29:14,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs
2025-08-31T09:29:14,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs
2025-08-31T09:29:14,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:14,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:14,886   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:14,887   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:14,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2
2025-08-31T09:29:14,891   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2
2025-08-31T09:29:14,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3
2025-08-31T09:29:14,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3
2025-08-31T09:29:14,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2
2025-08-31T09:29:14,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2
2025-08-31T09:29:14,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih
2025-08-31T09:29:14,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih
2025-08-31T09:29:14,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co
2025-08-31T09:29:14,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co
2025-08-31T09:29:14,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:14,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:14,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al
2025-08-31T09:29:14,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al
2025-08-31T09:29:14,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2
2025-08-31T09:29:14,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2
2025-08-31T09:29:14,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3
2025-08-31T09:29:14,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3
2025-08-31T09:29:14,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:14,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:14,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2
2025-08-31T09:29:14,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2
2025-08-31T09:29:14,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4
2025-08-31T09:29:14,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4
2025-08-31T09:29:14,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn
2025-08-31T09:29:14,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn
2025-08-31T09:29:14,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono
2025-08-31T09:29:14,940   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
2025-08-31T09:29:14,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no
2025-08-31T09:29:14,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no
2025-08-31T09:29:14,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3
2025-08-31T09:29:14,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3
2025-08-31T09:29:14,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:14,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:14,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of
2025-08-31T09:29:14,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of
2025-08-31T09:29:14,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o
2025-08-31T09:29:14,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o
2025-08-31T09:29:14,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh
2025-08-31T09:29:14,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh
2025-08-31T09:29:14,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2
2025-08-31T09:29:14,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2
2025-08-31T09:29:14,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co
2025-08-31T09:29:14,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co
2025-08-31T09:29:14,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:14,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:14,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:14,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:14,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:14,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:14,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl
2025-08-31T09:29:14,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl
2025-08-31T09:29:14,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno
2025-08-31T09:29:14,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno
2025-08-31T09:29:14,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn
2025-08-31T09:29:14,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn
2025-08-31T09:29:14,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2
2025-08-31T09:29:15,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2
2025-08-31T09:29:15,004   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:15,005   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:15,008   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene
2025-08-31T09:29:15,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene
2025-08-31T09:29:15,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3
2025-08-31T09:29:15,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3
2025-08-31T09:29:15,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:15,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:15,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:15,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:15,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2
2025-08-31T09:29:15,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2
2025-08-31T09:29:15,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno
2025-08-31T09:29:15,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno
2025-08-31T09:29:15,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c
2025-08-31T09:29:15,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c
2025-08-31T09:29:15,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c
2025-08-31T09:29:15,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c
2025-08-31T09:29:15,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c
2025-08-31T09:29:15,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c
2025-08-31T09:29:15,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a
2025-08-31T09:29:15,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a
2025-08-31T09:29:15,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b
2025-08-31T09:29:15,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b
2025-08-31T09:29:15,063   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a
2025-08-31T09:29:15,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a
2025-08-31T09:29:15,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b
2025-08-31T09:29:15,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b
2025-08-31T09:29:15,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a
2025-08-31T09:29:15,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a
2025-08-31T09:29:15,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a
2025-08-31T09:29:15,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a
2025-08-31T09:29:15,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b
2025-08-31T09:29:15,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b
2025-08-31T09:29:15,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d
2025-08-31T09:29:15,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d
2025-08-31T09:29:15,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b
2025-08-31T09:29:15,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b
2025-08-31T09:29:15,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a
2025-08-31T09:29:15,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a
2025-08-31T09:29:15,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b
2025-08-31T09:29:15,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b
2025-08-31T09:29:15,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a
2025-08-31T09:29:15,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a
2025-08-31T09:29:15,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b
2025-08-31T09:29:15,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b
2025-08-31T09:29:15,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b
2025-08-31T09:29:15,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b
2025-08-31T09:29:15,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b
2025-08-31T09:29:15,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b
2025-08-31T09:29:15,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a
2025-08-31T09:29:15,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a
2025-08-31T09:29:15,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a
2025-08-31T09:29:15,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a
2025-08-31T09:29:15,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a
2025-08-31T09:29:15,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a
2025-08-31T09:29:15,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b
2025-08-31T09:29:15,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b
2025-08-31T09:29:15,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a
2025-08-31T09:29:15,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a
2025-08-31T09:29:15,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d
2025-08-31T09:29:15,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d
2025-08-31T09:29:15,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b
2025-08-31T09:29:15,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b
2025-08-31T09:29:15,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04
2025-08-31T09:29:15,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04
2025-08-31T09:29:15,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23
2025-08-31T09:29:15,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23
2025-08-31T09:29:15,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43
2025-08-31T09:29:15,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43
2025-08-31T09:29:15,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11
2025-08-31T09:29:15,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11
2025-08-31T09:29:15,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:15,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:15,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:15,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:15,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31
2025-08-31T09:29:15,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31
2025-08-31T09:29:15,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15
2025-08-31T09:29:15,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15
2025-08-31T09:29:15,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09
2025-08-31T09:29:15,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09
2025-08-31T09:29:15,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20
2025-08-31T09:29:15,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20
2025-08-31T09:29:15,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36
2025-08-31T09:29:15,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36
2025-08-31T09:29:15,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01
2025-08-31T09:29:15,180   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01
2025-08-31T09:29:15,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06
2025-08-31T09:29:15,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06
2025-08-31T09:29:15,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32
2025-08-31T09:29:15,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32
2025-08-31T09:29:15,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39
2025-08-31T09:29:15,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39
2025-08-31T09:29:15,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:15,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:15,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2
2025-08-31T09:29:15,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2
2025-08-31T09:29:15,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:15,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:15,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14
2025-08-31T09:29:15,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14
2025-08-31T09:29:15,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:15,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:15,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34
2025-08-31T09:29:15,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34
2025-08-31T09:29:15,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:15,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:15,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38
2025-08-31T09:29:15,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38
2025-08-31T09:29:15,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22
2025-08-31T09:29:15,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22
2025-08-31T09:29:15,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2
2025-08-31T09:29:15,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2
2025-08-31T09:29:15,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2
2025-08-31T09:29:15,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2
2025-08-31T09:29:15,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:15,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:15,238   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07
2025-08-31T09:29:15,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07
2025-08-31T09:29:15,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2
2025-08-31T09:29:15,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2
2025-08-31T09:29:15,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29
2025-08-31T09:29:15,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29
2025-08-31T09:29:15,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19
2025-08-31T09:29:15,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19
2025-08-31T09:29:15,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24
2025-08-31T09:29:15,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24
2025-08-31T09:29:15,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33
2025-08-31T09:29:15,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33
2025-08-31T09:29:15,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25
2025-08-31T09:29:15,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25
2025-08-31T09:29:15,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28
2025-08-31T09:29:15,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28
2025-08-31T09:29:15,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35
2025-08-31T09:29:15,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35
2025-08-31T09:29:15,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16
2025-08-31T09:29:15,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16
2025-08-31T09:29:15,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26
2025-08-31T09:29:15,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26
2025-08-31T09:29:15,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03
2025-08-31T09:29:15,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03
2025-08-31T09:29:15,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05
2025-08-31T09:29:15,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05
2025-08-31T09:29:15,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2
2025-08-31T09:29:15,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2
2025-08-31T09:29:15,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08
2025-08-31T09:29:15,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08
2025-08-31T09:29:15,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10
2025-08-31T09:29:15,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10
2025-08-31T09:29:15,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41
2025-08-31T09:29:15,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41
2025-08-31T09:29:15,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:15,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:15,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37
2025-08-31T09:29:15,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37
2025-08-31T09:29:15,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12
2025-08-31T09:29:15,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12
2025-08-31T09:29:15,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02
2025-08-31T09:29:15,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02
2025-08-31T09:29:15,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13
2025-08-31T09:29:15,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13
2025-08-31T09:29:15,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18
2025-08-31T09:29:15,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18
2025-08-31T09:29:15,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40
2025-08-31T09:29:15,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40
2025-08-31T09:29:15,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2
2025-08-31T09:29:15,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2
2025-08-31T09:29:15,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30
2025-08-31T09:29:15,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30
2025-08-31T09:29:15,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21
2025-08-31T09:29:15,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21
2025-08-31T09:29:15,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27
2025-08-31T09:29:15,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27
2025-08-31T09:29:15,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:15,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:15,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42
2025-08-31T09:29:15,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42
2025-08-31T09:29:15,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17
2025-08-31T09:29:15,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17
2025-08-31T09:29:15,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:15,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:15,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:15,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:15,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:15,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:15,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:15,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:15,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:15,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:15,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:15,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:15,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:15,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:15,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:15,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:15,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:15,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:15,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h
2025-08-31T09:29:15,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h
2025-08-31T09:29:15,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:15,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:15,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:15,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:15,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:15,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:15,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:15,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:15,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:15,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:15,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:15,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:15,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:15,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:15,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:15,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:15,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:15,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:15,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf
2025-08-31T09:29:15,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf
2025-08-31T09:29:15,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:15,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:15,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco
2025-08-31T09:29:15,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco
2025-08-31T09:29:15,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:15,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:15,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:15,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:15,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh
2025-08-31T09:29:15,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh
2025-08-31T09:29:15,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:15,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:15,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:15,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:15,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:15,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:15,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf
2025-08-31T09:29:15,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf
2025-08-31T09:29:15,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2
2025-08-31T09:29:15,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2
2025-08-31T09:29:15,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2
2025-08-31T09:29:15,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2
2025-08-31T09:29:15,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:15,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:15,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:15,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:15,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:15,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:15,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:15,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:15,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:15,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:15,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:15,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:15,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:15,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:15,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:15,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:15,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:15,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:15,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl
2025-08-31T09:29:15,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl
2025-08-31T09:29:15,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f
2025-08-31T09:29:15,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f
2025-08-31T09:29:15,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:15,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:15,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:15,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:15,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:15,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:15,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:15,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:15,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:15,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:15,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:15,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:15,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:15,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:15,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:15,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:15,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:15,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:15,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:15,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:15,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:15,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:15,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:15,566   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:15,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O
2025-08-31T09:29:15,570   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O
2025-08-31T09:29:15,572   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:15,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:15,576   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:15,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:15,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:15,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:15,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:15,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:15,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:15,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:15,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:15,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:15,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS
2025-08-31T09:29:15,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS
2025-08-31T09:29:15,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:15,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:15,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:15,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:15,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:15,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:15,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2
2025-08-31T09:29:15,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2
2025-08-31T09:29:15,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:15,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:15,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:15,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:15,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:15,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:15,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:15,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:15,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH
2025-08-31T09:29:15,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH
2025-08-31T09:29:15,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:15,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:15,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co
2025-08-31T09:29:15,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co
2025-08-31T09:29:15,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:15,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:15,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:15,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:15,651   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:15,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:15,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:15,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:15,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:15,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:15,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:15,665   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:15,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:15,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:15,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:15,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:15,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:15,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:15,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:15,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:15,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:15,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:15,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:15,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:15,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-
2025-08-31T09:29:15,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-
2025-08-31T09:29:15,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:15,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:15,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:15,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:15,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:15,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:15,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:15,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:15,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:15,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:15,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:15,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:15,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:15,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:15,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:15,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:15,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:15,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:15,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:15,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:15,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:15,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:15,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:15,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:15,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:15,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:15,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:15,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:15,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:15,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:15,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:15,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:15,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:15,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:15,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:15,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:15,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:15,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:15,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:15,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:15,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:15,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:15,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:15,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:15,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:15,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:15,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:15,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:15,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:15,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:15,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:15,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:15,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:15,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:15,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:15,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:15,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:15,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:15,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:15,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:15,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:15,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:15,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:15,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:15,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:15,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:15,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:15,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:15,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:15,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:15,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:15,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:15,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:15,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:15,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:15,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:15,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:15,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:15,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:15,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:15,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:15,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:15,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:15,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:15,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:15,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:15,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:15,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:15,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:15,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:15,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:15,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:15,876   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:15,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:15,880   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:15,881   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:15,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:15,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:15,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:15,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:15,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:15,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:15,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:15,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:15,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:15,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:15,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:15,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:15,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:15,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:15,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:15,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:15,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:15,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:15,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:15,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:15,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:15,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:15,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:15,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:15,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:15,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:15,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:15,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:15,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:15,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:15,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:15,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:15,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:15,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:15,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:15,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:15,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:15,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:15,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:15,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:15,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:15,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:15,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:15,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:15,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:15,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:15,970   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:15,971   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:15,974   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:15,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:15,978   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:15,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:15,982   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:15,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:15,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:15,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:15,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:15,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:15,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:15,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:15,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:15,998   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:16,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:16,002   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:16,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:16,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:16,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:16,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:16,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:16,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:16,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:16,017   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:16,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:16,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:16,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:16,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:16,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:16,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:16,031   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:16,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:16,035   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:16,036   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:16,039   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:16,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:16,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:16,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:16,046   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:16,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:16,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:16,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:16,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:16,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:16,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:16,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:16,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:16,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:16,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:16,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:16,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:16,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:16,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:16,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:16,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:16,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:16,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49
2025-08-31T09:29:16,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49
2025-08-31T09:29:16,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40
2025-08-31T09:29:16,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40
2025-08-31T09:29:16,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51
2025-08-31T09:29:16,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51
2025-08-31T09:29:16,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40
2025-08-31T09:29:16,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40
2025-08-31T09:29:16,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25
2025-08-31T09:29:16,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25
2025-08-31T09:29:16,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45
2025-08-31T09:29:16,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45
2025-08-31T09:29:16,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44
2025-08-31T09:29:16,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44
2025-08-31T09:29:16,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57
2025-08-31T09:29:16,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57
2025-08-31T09:29:16,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48
2025-08-31T09:29:16,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48
2025-08-31T09:29:16,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22
2025-08-31T09:29:16,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22
2025-08-31T09:29:16,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47
2025-08-31T09:29:16,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47
2025-08-31T09:29:16,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26
2025-08-31T09:29:16,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26
2025-08-31T09:29:16,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43
2025-08-31T09:29:16,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43
2025-08-31T09:29:16,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52
2025-08-31T09:29:16,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52
2025-08-31T09:29:16,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25
2025-08-31T09:29:16,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25
2025-08-31T09:29:16,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20
2025-08-31T09:29:16,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20
2025-08-31T09:29:16,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29
2025-08-31T09:29:16,142   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29
2025-08-31T09:29:16,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21
2025-08-31T09:29:16,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21
2025-08-31T09:29:16,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47
2025-08-31T09:29:16,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47
2025-08-31T09:29:16,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56
2025-08-31T09:29:16,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56
2025-08-31T09:29:16,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51
2025-08-31T09:29:16,157   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51
2025-08-31T09:29:16,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49
2025-08-31T09:29:16,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49
2025-08-31T09:29:16,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20
2025-08-31T09:29:16,164   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20
2025-08-31T09:29:16,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44
2025-08-31T09:29:16,168   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44
2025-08-31T09:29:16,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52
2025-08-31T09:29:16,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52
2025-08-31T09:29:16,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26
2025-08-31T09:29:16,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26
2025-08-31T09:29:16,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46
2025-08-31T09:29:16,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46
2025-08-31T09:29:16,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48
2025-08-31T09:29:16,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48
2025-08-31T09:29:16,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43
2025-08-31T09:29:16,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43
2025-08-31T09:29:16,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46
2025-08-31T09:29:16,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46
2025-08-31T09:29:16,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56
2025-08-31T09:29:16,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56
2025-08-31T09:29:16,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60
2025-08-31T09:29:16,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60
2025-08-31T09:29:16,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28
2025-08-31T09:29:16,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28
2025-08-31T09:29:16,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60
2025-08-31T09:29:16,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60
2025-08-31T09:29:16,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45
2025-08-31T09:29:16,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45
2025-08-31T09:29:16,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22
2025-08-31T09:29:16,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22
2025-08-31T09:29:16,214   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:16,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:16,218   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:16,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:16,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:16,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:16,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:16,227   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:16,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:16,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:16,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:16,234   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:16,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:16,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:16,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:16,242   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:16,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:16,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:16,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:16,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:16,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:16,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:16,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:16,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:16,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:16,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:16,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:16,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:16,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:16,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:16,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:16,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:16,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:16,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:16,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:16,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:16,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:16,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:16,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:16,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:16,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:16,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:16,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:16,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:16,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:16,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:16,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:16,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:16,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:16,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:16,308   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:16,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:16,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:16,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:16,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:16,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:16,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:16,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:16,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:16,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:16,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:16,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:16,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:16,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:16,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:16,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:16,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:16,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:16,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:16,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:16,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:16,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:16,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:16,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:16,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:16,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:16,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:16,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:16,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:16,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:16,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:16,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:16,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:16,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:16,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:16,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:16,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:16,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:16,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:16,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:16,384   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:16,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:16,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:16,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:16,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:16,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:16,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:16,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:16,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:16,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:16,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:16,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:16,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:16,408   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
2025-08-31T09:29:16,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:16,412   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
2025-08-31T09:29:16,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:16,416   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
2025-08-31T09:29:16,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:16,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:16,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:16,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:16,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:16,427   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
2025-08-31T09:29:16,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:16,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:16,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:16,434   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
2025-08-31T09:29:16,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:16,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:16,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:16,442   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
2025-08-31T09:29:16,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:16,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:16,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:16,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:16,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:16,454   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
2025-08-31T09:29:16,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:16,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:16,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:16,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:16,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:16,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:16,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:16,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:16,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS
2025-08-31T09:29:16,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS
2025-08-31T09:29:16,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:16,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:16,479   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:16,480   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
2025-08-31T09:29:16,483   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:16,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:16,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:16,487   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
2025-08-31T09:29:16,490   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:16,491   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
2025-08-31T09:29:16,494   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:16,495   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
2025-08-31T09:29:16,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:16,499   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
2025-08-31T09:29:16,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:16,503   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
2025-08-31T09:29:16,505   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl
2025-08-31T09:29:16,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl
2025-08-31T09:29:16,509   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:16,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:16,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:16,515   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:16,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:16,519   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
2025-08-31T09:29:16,521   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:16,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:16,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:16,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:16,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:16,530   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
2025-08-31T09:29:16,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:16,533   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
2025-08-31T09:29:16,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:16,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:16,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:16,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:16,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:16,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:16,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:16,548   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
2025-08-31T09:29:16,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:16,552   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
2025-08-31T09:29:16,555   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:16,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:16,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI
2025-08-31T09:29:16,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI
2025-08-31T09:29:16,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:16,564   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
2025-08-31T09:29:16,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:16,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:16,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:16,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:16,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:16,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:16,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:16,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:16,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:16,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:16,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:16,587   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
2025-08-31T09:29:16,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:16,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:16,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:16,595   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
2025-08-31T09:29:16,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr
2025-08-31T09:29:16,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr
2025-08-31T09:29:16,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:16,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:16,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:16,606   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
2025-08-31T09:29:16,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:16,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:16,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:16,614   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
2025-08-31T09:29:16,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:16,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:16,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:16,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:16,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:16,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:16,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:16,629   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
2025-08-31T09:29:16,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:16,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:16,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI
2025-08-31T09:29:16,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI
2025-08-31T09:29:16,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr
2025-08-31T09:29:16,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr
2025-08-31T09:29:16,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:16,644   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
2025-08-31T09:29:16,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3
2025-08-31T09:29:16,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3
2025-08-31T09:29:16,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:16,651   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
2025-08-31T09:29:16,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:16,655   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
2025-08-31T09:29:16,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI
2025-08-31T09:29:16,658   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI
2025-08-31T09:29:16,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH
2025-08-31T09:29:16,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH
2025-08-31T09:29:16,664   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:16,666   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
2025-08-31T09:29:16,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:16,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:16,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:16,673   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
2025-08-31T09:29:16,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe
2025-08-31T09:29:16,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe
2025-08-31T09:29:16,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:16,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:16,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:16,684   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
2025-08-31T09:29:16,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:16,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:16,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:16,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:16,693   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:16,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:16,697   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:16,699   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
2025-08-31T09:29:16,701   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:16,702   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
2025-08-31T09:29:16,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:16,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:16,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:16,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:16,713   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:16,714   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
2025-08-31T09:29:16,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:16,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:16,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:16,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:16,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:16,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:16,728   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:16,730   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
2025-08-31T09:29:16,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:16,734   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:16,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:16,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:16,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:16,741   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
2025-08-31T09:29:16,743   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:16,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:16,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:16,748   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
2025-08-31T09:29:16,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:16,752   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:16,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:16,756   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
2025-08-31T09:29:16,758   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:16,759   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
2025-08-31T09:29:16,762   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:16,763   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
2025-08-31T09:29:16,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:16,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:16,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS
2025-08-31T09:29:16,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS
2025-08-31T09:29:16,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH
2025-08-31T09:29:16,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH
2025-08-31T09:29:16,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:16,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:16,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:16,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:16,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:16,787   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
2025-08-31T09:29:16,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:16,791   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
2025-08-31T09:29:16,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:16,794   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
2025-08-31T09:29:16,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:16,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:16,801   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:16,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:16,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:16,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:16,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:16,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:16,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:16,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:16,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:16,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:16,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:16,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:16,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:16,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:16,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:16,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:16,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:16,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:16,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:16,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:16,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:16,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:16,845   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:16,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:16,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:16,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:16,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:16,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:16,857   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:16,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:16,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:16,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:16,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:16,866   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:16,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:16,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:16,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:16,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:16,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:16,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:16,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:16,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:16,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:16,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:16,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:16,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:16,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:16,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:16,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:16,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:16,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:16,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:16,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:16,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:16,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:16,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:16,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29
2025-08-31T09:29:16,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29
2025-08-31T09:29:16,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28
2025-08-31T09:29:16,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28
2025-08-31T09:29:16,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20
2025-08-31T09:29:16,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20
2025-08-31T09:29:16,924   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9
2025-08-31T09:29:16,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9
2025-08-31T09:29:16,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33
2025-08-31T09:29:16,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33
2025-08-31T09:29:16,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24
2025-08-31T09:29:16,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24
2025-08-31T09:29:16,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11
2025-08-31T09:29:16,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11
2025-08-31T09:29:16,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15
2025-08-31T09:29:16,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15
2025-08-31T09:29:16,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16
2025-08-31T09:29:16,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16
2025-08-31T09:29:16,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19
2025-08-31T09:29:16,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19
2025-08-31T09:29:16,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32
2025-08-31T09:29:16,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32
2025-08-31T09:29:16,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8
2025-08-31T09:29:16,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8
2025-08-31T09:29:16,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34
2025-08-31T09:29:16,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34
2025-08-31T09:29:16,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7
2025-08-31T09:29:16,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7
2025-08-31T09:29:16,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24
2025-08-31T09:29:16,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24
2025-08-31T09:29:16,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17
2025-08-31T09:29:16,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17
2025-08-31T09:29:16,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12
2025-08-31T09:29:16,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12
2025-08-31T09:29:16,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21
2025-08-31T09:29:16,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21
2025-08-31T09:29:16,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25
2025-08-31T09:29:16,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25
2025-08-31T09:29:16,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1
2025-08-31T09:29:16,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1
2025-08-31T09:29:16,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23
2025-08-31T09:29:16,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23
2025-08-31T09:29:16,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13
2025-08-31T09:29:16,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13
2025-08-31T09:29:16,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4
2025-08-31T09:29:16,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4
2025-08-31T09:29:16,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13
2025-08-31T09:29:17,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13
2025-08-31T09:29:17,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33
2025-08-31T09:29:17,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33
2025-08-31T09:29:17,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15
2025-08-31T09:29:17,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15
2025-08-31T09:29:17,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31
2025-08-31T09:29:17,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31
2025-08-31T09:29:17,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3
2025-08-31T09:29:17,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3
2025-08-31T09:29:17,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31
2025-08-31T09:29:17,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31
2025-08-31T09:29:17,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22
2025-08-31T09:29:17,024   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22
2025-08-31T09:29:17,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30
2025-08-31T09:29:17,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30
2025-08-31T09:29:17,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6
2025-08-31T09:29:17,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6
2025-08-31T09:29:17,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23
2025-08-31T09:29:17,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23
2025-08-31T09:29:17,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10
2025-08-31T09:29:17,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10
2025-08-31T09:29:17,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4
2025-08-31T09:29:17,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4
2025-08-31T09:29:17,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8
2025-08-31T09:29:17,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8
2025-08-31T09:29:17,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14
2025-08-31T09:29:17,050   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14
2025-08-31T09:29:17,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16
2025-08-31T09:29:17,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16
2025-08-31T09:29:17,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28
2025-08-31T09:29:17,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28
2025-08-31T09:29:17,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18
2025-08-31T09:29:17,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18
2025-08-31T09:29:17,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2
2025-08-31T09:29:17,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2
2025-08-31T09:29:17,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32
2025-08-31T09:29:17,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32
2025-08-31T09:29:17,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20
2025-08-31T09:29:17,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20
2025-08-31T09:29:17,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3
2025-08-31T09:29:17,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3
2025-08-31T09:29:17,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27
2025-08-31T09:29:17,082   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27
2025-08-31T09:29:17,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11
2025-08-31T09:29:17,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11
2025-08-31T09:29:17,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14
2025-08-31T09:29:17,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14
2025-08-31T09:29:17,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26
2025-08-31T09:29:17,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26
2025-08-31T09:29:17,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26
2025-08-31T09:29:17,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26
2025-08-31T09:29:17,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21
2025-08-31T09:29:17,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21
2025-08-31T09:29:17,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18
2025-08-31T09:29:17,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18
2025-08-31T09:29:17,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5
2025-08-31T09:29:17,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5
2025-08-31T09:29:17,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9
2025-08-31T09:29:17,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9
2025-08-31T09:29:17,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1
2025-08-31T09:29:17,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1
2025-08-31T09:29:17,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7
2025-08-31T09:29:17,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7
2025-08-31T09:29:17,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29
2025-08-31T09:29:17,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29
2025-08-31T09:29:17,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17
2025-08-31T09:29:17,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17
2025-08-31T09:29:17,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12
2025-08-31T09:29:17,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12
2025-08-31T09:29:17,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34
2025-08-31T09:29:17,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34
2025-08-31T09:29:17,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10
2025-08-31T09:29:17,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10
2025-08-31T09:29:17,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27
2025-08-31T09:29:17,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27
2025-08-31T09:29:17,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25
2025-08-31T09:29:17,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25
2025-08-31T09:29:17,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30
2025-08-31T09:29:17,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30
2025-08-31T09:29:17,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2
2025-08-31T09:29:17,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2
2025-08-31T09:29:17,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:17,158   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
2025-08-31T09:29:17,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:17,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:17,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip
2025-08-31T09:29:17,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip
2025-08-31T09:29:17,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8
2025-08-31T09:29:17,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8
2025-08-31T09:29:17,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb
2025-08-31T09:29:17,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb
2025-08-31T09:29:17,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:17,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:17,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen
2025-08-31T09:29:17,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen
2025-08-31T09:29:17,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:17,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:17,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:17,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:17,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:17,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:17,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:17,197   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
2025-08-31T09:29:17,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3
2025-08-31T09:29:17,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3
2025-08-31T09:29:17,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be
2025-08-31T09:29:17,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be
2025-08-31T09:29:17,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:17,208   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
2025-08-31T09:29:17,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen
2025-08-31T09:29:17,212   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen
2025-08-31T09:29:17,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:17,216   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:17,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:17,220   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
2025-08-31T09:29:17,222   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:17,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:17,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4
2025-08-31T09:29:17,227   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4
2025-08-31T09:29:17,230   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2
2025-08-31T09:29:17,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2
2025-08-31T09:29:17,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:17,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:17,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:17,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:17,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4
2025-08-31T09:29:17,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4
2025-08-31T09:29:17,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6
2025-08-31T09:29:17,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6
2025-08-31T09:29:17,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL
2025-08-31T09:29:17,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL
2025-08-31T09:29:17,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage
2025-08-31T09:29:17,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage
2025-08-31T09:29:17,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2
2025-08-31T09:29:17,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2
2025-08-31T09:29:17,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:17,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:17,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:17,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:17,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2
2025-08-31T09:29:17,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2
2025-08-31T09:29:17,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:17,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:17,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p
2025-08-31T09:29:17,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p
2025-08-31T09:29:17,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp
2025-08-31T09:29:17,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp
2025-08-31T09:29:17,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp
2025-08-31T09:29:17,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp
2025-08-31T09:29:17,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6
2025-08-31T09:29:17,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6
2025-08-31T09:29:17,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp
2025-08-31T09:29:17,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp
2025-08-31T09:29:17,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:17,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:17,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s
2025-08-31T09:29:17,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s
2025-08-31T09:29:17,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4
2025-08-31T09:29:17,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4
2025-08-31T09:29:17,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass
2025-08-31T09:29:17,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass
2025-08-31T09:29:17,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6
2025-08-31T09:29:17,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6
2025-08-31T09:29:17,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap
2025-08-31T09:29:17,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap
2025-08-31T09:29:17,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G
2025-08-31T09:29:17,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G
2025-08-31T09:29:17,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly
2025-08-31T09:29:17,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly
2025-08-31T09:29:17,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp
2025-08-31T09:29:17,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp
2025-08-31T09:29:17,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp
2025-08-31T09:29:17,330   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp
2025-08-31T09:29:17,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp
2025-08-31T09:29:17,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp
2025-08-31T09:29:17,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op
2025-08-31T09:29:17,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op
2025-08-31T09:29:17,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys
2025-08-31T09:29:17,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys
2025-08-31T09:29:17,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:17,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:17,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8
2025-08-31T09:29:17,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8
2025-08-31T09:29:17,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p
2025-08-31T09:29:17,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p
2025-08-31T09:29:17,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol
2025-08-31T09:29:17,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol
2025-08-31T09:29:17,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:17,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:17,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T
2025-08-31T09:29:17,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T
2025-08-31T09:29:17,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p
2025-08-31T09:29:17,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p
2025-08-31T09:29:17,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:17,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:17,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p
2025-08-31T09:29:17,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p
2025-08-31T09:29:17,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p
2025-08-31T09:29:17,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p
2025-08-31T09:29:17,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:17,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:17,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o
2025-08-31T09:29:17,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o
2025-08-31T09:29:17,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4
2025-08-31T09:29:17,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4
2025-08-31T09:29:17,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:17,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:17,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p
2025-08-31T09:29:17,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p
2025-08-31T09:29:17,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s
2025-08-31T09:29:17,403   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s
2025-08-31T09:29:17,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:17,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:17,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3
2025-08-31T09:29:17,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3
2025-08-31T09:29:17,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp
2025-08-31T09:29:17,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp
2025-08-31T09:29:17,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A
2025-08-31T09:29:17,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A
2025-08-31T09:29:17,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C
2025-08-31T09:29:17,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C
2025-08-31T09:29:17,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6
2025-08-31T09:29:17,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6
2025-08-31T09:29:17,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2
2025-08-31T09:29:17,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2
2025-08-31T09:29:17,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp
2025-08-31T09:29:17,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp
2025-08-31T09:29:17,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2
2025-08-31T09:29:17,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2
2025-08-31T09:29:17,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p
2025-08-31T09:29:17,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p
2025-08-31T09:29:17,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:17,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:17,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl
2025-08-31T09:29:17,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl
2025-08-31T09:29:17,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p
2025-08-31T09:29:17,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p
2025-08-31T09:29:17,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol
2025-08-31T09:29:17,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol
2025-08-31T09:29:17,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp
2025-08-31T09:29:17,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp
2025-08-31T09:29:17,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3
2025-08-31T09:29:17,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3
2025-08-31T09:29:17,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:17,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:17,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:17,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:17,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:17,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:17,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:17,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:17,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:17,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:17,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:17,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:17,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:17,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:17,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:17,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:17,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:17,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:17,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:17,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:17,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:17,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:17,502   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:17,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:17,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:17,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:17,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:17,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:17,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:17,514   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:17,517   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:17,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:17,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:17,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:17,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:17,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:17,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:17,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:17,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:17,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:17,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:17,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:17,538   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:17,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:17,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:17,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:17,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:17,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:17,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:17,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:17,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:17,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:17,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:17,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:17,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:17,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:17,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:17,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:17,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:17,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:17,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:17,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:17,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:17,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:17,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:17,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:17,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:17,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:17,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:17,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:17,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:17,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:17,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:17,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:17,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:17,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:17,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:17,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:17,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:17,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:17,609   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:17,610   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
2025-08-31T09:29:17,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:17,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:17,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:17,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:17,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO
2025-08-31T09:29:17,622   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO
2025-08-31T09:29:17,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO
2025-08-31T09:29:17,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO
2025-08-31T09:29:17,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:17,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:17,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:17,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:17,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:17,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:17,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:17,642   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
2025-08-31T09:29:17,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:17,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:17,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2
2025-08-31T09:29:17,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2
2025-08-31T09:29:17,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2
2025-08-31T09:29:17,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2
2025-08-31T09:29:17,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:17,658   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:17,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:17,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:17,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:17,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:17,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:17,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:17,673   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:17,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:17,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:17,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:17,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol
2025-08-31T09:29:17,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol
2025-08-31T09:29:17,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:17,685   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
2025-08-31T09:29:17,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:17,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:17,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:17,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:17,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:17,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:17,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:17,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:17,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:17,704   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
2025-08-31T09:29:17,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:17,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:17,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:17,712   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
2025-08-31T09:29:17,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:17,716   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
2025-08-31T09:29:17,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:17,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:17,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene
2025-08-31T09:29:17,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene
2025-08-31T09:29:17,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:17,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:17,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:17,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:17,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:17,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:17,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:17,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:17,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:17,742   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
2025-08-31T09:29:17,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:17,746   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
2025-08-31T09:29:17,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:17,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:17,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:17,754   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
2025-08-31T09:29:17,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2
2025-08-31T09:29:17,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2
2025-08-31T09:29:17,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:17,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:17,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:17,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:17,767   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:17,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:17,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione
2025-08-31T09:29:17,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione
2025-08-31T09:29:17,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:17,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:17,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:17,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:17,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:17,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:17,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2
2025-08-31T09:29:17,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2
2025-08-31T09:29:17,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:17,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:17,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:17,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:17,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:17,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:17,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:17,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:17,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol
2025-08-31T09:29:17,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol
2025-08-31T09:29:17,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:17,809   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
2025-08-31T09:29:17,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:17,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:17,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne
2025-08-31T09:29:17,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne
2025-08-31T09:29:17,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:17,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:17,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:17,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:17,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol
2025-08-31T09:29:17,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol
2025-08-31T09:29:17,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:17,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:17,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:17,835   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
2025-08-31T09:29:17,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3
2025-08-31T09:29:17,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3
2025-08-31T09:29:17,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2
2025-08-31T09:29:17,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2
2025-08-31T09:29:17,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:17,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:17,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:17,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:17,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S
2025-08-31T09:29:17,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S
2025-08-31T09:29:17,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene
2025-08-31T09:29:17,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene
2025-08-31T09:29:17,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:17,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:17,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene
2025-08-31T09:29:17,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene
2025-08-31T09:29:17,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:17,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:17,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:17,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:17,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:17,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:17,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:17,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:17,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:17,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:17,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:17,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:17,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:17,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:17,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:17,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:17,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:17,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:17,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN
2025-08-31T09:29:17,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN
2025-08-31T09:29:17,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:17,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:17,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl
2025-08-31T09:29:17,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl
2025-08-31T09:29:17,910   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:17,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:17,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:17,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:17,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:17,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:17,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:17,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:17,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O
2025-08-31T09:29:17,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O
2025-08-31T09:29:17,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:17,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:17,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:17,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:17,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne
2025-08-31T09:29:17,939   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne
2025-08-31T09:29:17,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6
2025-08-31T09:29:17,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6
2025-08-31T09:29:17,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2
2025-08-31T09:29:17,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2
2025-08-31T09:29:17,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe
2025-08-31T09:29:17,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe
2025-08-31T09:29:17,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:17,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:29:17,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe
2025-08-31T09:29:17,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe
2025-08-31T09:29:17,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr
2025-08-31T09:29:17,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr
2025-08-31T09:29:17,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:17,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:29:17,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf
2025-08-31T09:29:17,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf
2025-08-31T09:29:17,970   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3
2025-08-31T09:29:17,971   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3
2025-08-31T09:29:17,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4
2025-08-31T09:29:17,975   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4
2025-08-31T09:29:17,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz
2025-08-31T09:29:17,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz
2025-08-31T09:29:17,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4
2025-08-31T09:29:17,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4
2025-08-31T09:29:17,985   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr
2025-08-31T09:29:17,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr
2025-08-31T09:29:17,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3
2025-08-31T09:29:17,990   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3
2025-08-31T09:29:17,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3
2025-08-31T09:29:17,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3
2025-08-31T09:29:17,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2
2025-08-31T09:29:17,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2
2025-08-31T09:29:18,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2
2025-08-31T09:29:18,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2
2025-08-31T09:29:18,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:18,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:29:18,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6
2025-08-31T09:29:18,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6
2025-08-31T09:29:18,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr
2025-08-31T09:29:18,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr
2025-08-31T09:29:18,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr
2025-08-31T09:29:18,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr
2025-08-31T09:29:18,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:18,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:29:18,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar
2025-08-31T09:29:18,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar
2025-08-31T09:29:18,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2
2025-08-31T09:29:18,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2
2025-08-31T09:29:18,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117
2025-08-31T09:29:18,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117
2025-08-31T09:29:18,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23
2025-08-31T09:29:18,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23
2025-08-31T09:29:18,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121
2025-08-31T09:29:18,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121
2025-08-31T09:29:18,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11
2025-08-31T09:29:18,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11
2025-08-31T09:29:18,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67
2025-08-31T09:29:18,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67
2025-08-31T09:29:18,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118
2025-08-31T09:29:18,048   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118
2025-08-31T09:29:18,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68
2025-08-31T09:29:18,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68
2025-08-31T09:29:18,054   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56
2025-08-31T09:29:18,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56
2025-08-31T09:29:18,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6
2025-08-31T09:29:18,058   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6
2025-08-31T09:29:18,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8
2025-08-31T09:29:18,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8
2025-08-31T09:29:18,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47
2025-08-31T09:29:18,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47
2025-08-31T09:29:18,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88
2025-08-31T09:29:18,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88
2025-08-31T09:29:18,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32
2025-08-31T09:29:18,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32
2025-08-31T09:29:18,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39
2025-08-31T09:29:18,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39
2025-08-31T09:29:18,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14
2025-08-31T09:29:18,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14
2025-08-31T09:29:18,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34
2025-08-31T09:29:18,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34
2025-08-31T09:29:18,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22
2025-08-31T09:29:18,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22
2025-08-31T09:29:18,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59
2025-08-31T09:29:18,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59
2025-08-31T09:29:18,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51
2025-08-31T09:29:18,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51
2025-08-31T09:29:18,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60
2025-08-31T09:29:18,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60
2025-08-31T09:29:18,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128
2025-08-31T09:29:18,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128
2025-08-31T09:29:18,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113
2025-08-31T09:29:18,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113
2025-08-31T09:29:18,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82
2025-08-31T09:29:18,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82
2025-08-31T09:29:18,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24
2025-08-31T09:29:18,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24
2025-08-31T09:29:18,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33
2025-08-31T09:29:18,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33
2025-08-31T09:29:18,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25
2025-08-31T09:29:18,119   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25
2025-08-31T09:29:18,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26
2025-08-31T09:29:18,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26
2025-08-31T09:29:18,125   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1
2025-08-31T09:29:18,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1
2025-08-31T09:29:18,129   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52
2025-08-31T09:29:18,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52
2025-08-31T09:29:18,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66
2025-08-31T09:29:18,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66
2025-08-31T09:29:18,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94
2025-08-31T09:29:18,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94
2025-08-31T09:29:18,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73
2025-08-31T09:29:18,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73
2025-08-31T09:29:18,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13
2025-08-31T09:29:18,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13
2025-08-31T09:29:18,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97
2025-08-31T09:29:18,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97
2025-08-31T09:29:18,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45
2025-08-31T09:29:18,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45
2025-08-31T09:29:18,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62
2025-08-31T09:29:18,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62
2025-08-31T09:29:18,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18
2025-08-31T09:29:18,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18
2025-08-31T09:29:18,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58
2025-08-31T09:29:18,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58
2025-08-31T09:29:18,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104
2025-08-31T09:29:18,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104
2025-08-31T09:29:18,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40
2025-08-31T09:29:18,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40
2025-08-31T09:29:18,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126
2025-08-31T09:29:18,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126
2025-08-31T09:29:18,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61
2025-08-31T09:29:18,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61
2025-08-31T09:29:18,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30
2025-08-31T09:29:18,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30
2025-08-31T09:29:18,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21
2025-08-31T09:29:18,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21
2025-08-31T09:29:18,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106
2025-08-31T09:29:18,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106
2025-08-31T09:29:18,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100
2025-08-31T09:29:18,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100
2025-08-31T09:29:18,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57
2025-08-31T09:29:18,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57
2025-08-31T09:29:18,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23
2025-08-31T09:29:18,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23
2025-08-31T09:29:18,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B
2025-08-31T09:29:18,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B
2025-08-31T09:29:18,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A
2025-08-31T09:29:18,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A
2025-08-31T09:29:18,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A
2025-08-31T09:29:18,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A
2025-08-31T09:29:18,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A
2025-08-31T09:29:18,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A
2025-08-31T09:29:18,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22
2025-08-31T09:29:18,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22
2025-08-31T09:29:18,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B
2025-08-31T09:29:18,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B
2025-08-31T09:29:18,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B
2025-08-31T09:29:18,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B
2025-08-31T09:29:18,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B
2025-08-31T09:29:18,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B
2025-08-31T09:29:18,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A
2025-08-31T09:29:18,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A
2025-08-31T09:29:18,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24
2025-08-31T09:29:18,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24
2025-08-31T09:29:18,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25
2025-08-31T09:29:18,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25
2025-08-31T09:29:18,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B
2025-08-31T09:29:18,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B
2025-08-31T09:29:18,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26
2025-08-31T09:29:18,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26
2025-08-31T09:29:18,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A
2025-08-31T09:29:18,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A
2025-08-31T09:29:18,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27
2025-08-31T09:29:18,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27
2025-08-31T09:29:18,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B
2025-08-31T09:29:18,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B
2025-08-31T09:29:18,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A
2025-08-31T09:29:18,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A
2025-08-31T09:29:18,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23
2025-08-31T09:29:18,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23
2025-08-31T09:29:18,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43
2025-08-31T09:29:18,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43
2025-08-31T09:29:18,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48
2025-08-31T09:29:18,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48
2025-08-31T09:29:18,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11
2025-08-31T09:29:18,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11
2025-08-31T09:29:18,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31
2025-08-31T09:29:18,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31
2025-08-31T09:29:18,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15
2025-08-31T09:29:18,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15
2025-08-31T09:29:18,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20
2025-08-31T09:29:18,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20
2025-08-31T09:29:18,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6
2025-08-31T09:29:18,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6
2025-08-31T09:29:18,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36
2025-08-31T09:29:18,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36
2025-08-31T09:29:18,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8
2025-08-31T09:29:18,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8
2025-08-31T09:29:18,308   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9
2025-08-31T09:29:18,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9
2025-08-31T09:29:18,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47
2025-08-31T09:29:18,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47
2025-08-31T09:29:18,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32
2025-08-31T09:29:18,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32
2025-08-31T09:29:18,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39
2025-08-31T09:29:18,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39
2025-08-31T09:29:18,323   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14
2025-08-31T09:29:18,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14
2025-08-31T09:29:18,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34
2025-08-31T09:29:18,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34
2025-08-31T09:29:18,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38
2025-08-31T09:29:18,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38
2025-08-31T09:29:18,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22
2025-08-31T09:29:18,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22
2025-08-31T09:29:18,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51
2025-08-31T09:29:18,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51
2025-08-31T09:29:18,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29
2025-08-31T09:29:18,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29
2025-08-31T09:29:18,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2
2025-08-31T09:29:18,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2
2025-08-31T09:29:18,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19
2025-08-31T09:29:18,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19
2025-08-31T09:29:18,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24
2025-08-31T09:29:18,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24
2025-08-31T09:29:18,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33
2025-08-31T09:29:18,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33
2025-08-31T09:29:18,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25
2025-08-31T09:29:18,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25
2025-08-31T09:29:18,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28
2025-08-31T09:29:18,365   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28
2025-08-31T09:29:18,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35
2025-08-31T09:29:18,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35
2025-08-31T09:29:18,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50
2025-08-31T09:29:18,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50
2025-08-31T09:29:18,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16
2025-08-31T09:29:18,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16
2025-08-31T09:29:18,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26
2025-08-31T09:29:18,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26
2025-08-31T09:29:18,384   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1
2025-08-31T09:29:18,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1
2025-08-31T09:29:18,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52
2025-08-31T09:29:18,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52
2025-08-31T09:29:18,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10
2025-08-31T09:29:18,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10
2025-08-31T09:29:18,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5
2025-08-31T09:29:18,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5
2025-08-31T09:29:18,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41
2025-08-31T09:29:18,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41
2025-08-31T09:29:18,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37
2025-08-31T09:29:18,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37
2025-08-31T09:29:18,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49
2025-08-31T09:29:18,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49
2025-08-31T09:29:18,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12
2025-08-31T09:29:18,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12
2025-08-31T09:29:18,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13
2025-08-31T09:29:18,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13
2025-08-31T09:29:18,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45
2025-08-31T09:29:18,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45
2025-08-31T09:29:18,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18
2025-08-31T09:29:18,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18
2025-08-31T09:29:18,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7
2025-08-31T09:29:18,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7
2025-08-31T09:29:18,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40
2025-08-31T09:29:18,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40
2025-08-31T09:29:18,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30
2025-08-31T09:29:18,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30
2025-08-31T09:29:18,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21
2025-08-31T09:29:18,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21
2025-08-31T09:29:18,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27
2025-08-31T09:29:18,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27
2025-08-31T09:29:18,446   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3
2025-08-31T09:29:18,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3
2025-08-31T09:29:18,450   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44
2025-08-31T09:29:18,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44
2025-08-31T09:29:18,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42
2025-08-31T09:29:18,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42
2025-08-31T09:29:18,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46
2025-08-31T09:29:18,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46
2025-08-31T09:29:18,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4
2025-08-31T09:29:18,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4
2025-08-31T09:29:18,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17
2025-08-31T09:29:18,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17
2025-08-31T09:29:18,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:18,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4
2025-08-31T09:29:18,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:18,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:29:18,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm
2025-08-31T09:29:18,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm
2025-08-31T09:29:18,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:18,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:29:18,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:29:18,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:29:18,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:18,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:29:18,491   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:18,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:29:18,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:18,496   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:29:18,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:18,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:29:18,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:18,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:29:18,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:18,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es
2025-08-31T09:29:18,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:18,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:29:18,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:18,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3
2025-08-31T09:29:18,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:18,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b
2025-08-31T09:29:18,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:18,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:29:18,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:18,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2
2025-08-31T09:29:18,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20
2025-08-31T09:29:18,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20
2025-08-31T09:29:18,534   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:18,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:29:18,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:18,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:29:18,541   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:18,543   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5
2025-08-31T09:29:18,545   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:18,546   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:29:18,549   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:18,550   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:29:18,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:18,554   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:29:18,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:18,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op
2025-08-31T09:29:18,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c
2025-08-31T09:29:18,561   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c
2025-08-31T09:29:18,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:18,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:29:18,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:18,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:29:18,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O
2025-08-31T09:29:18,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O
2025-08-31T09:29:18,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:18,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:29:18,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:18,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6
2025-08-31T09:29:18,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:18,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:29:18,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:18,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi
2025-08-31T09:29:18,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:18,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:29:18,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:18,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:29:18,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:18,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:29:18,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:18,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:29:18,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:18,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:29:18,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:18,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:29:18,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:18,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:29:18,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:18,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2
2025-08-31T09:29:18,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:18,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:29:18,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:18,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:29:18,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:18,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:29:18,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:18,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:29:18,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:18,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:29:18,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:18,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr
2025-08-31T09:29:18,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:18,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:29:18,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:18,646   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:29:18,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:18,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:29:18,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:18,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:29:18,655   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:18,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:29:18,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:18,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:29:18,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:18,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o
2025-08-31T09:29:18,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:18,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:29:18,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:18,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:29:18,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:18,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:29:18,677   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:18,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:29:18,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:18,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s
2025-08-31T09:29:18,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:18,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:29:18,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:18,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:29:18,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:18,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:29:18,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:18,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:29:18,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:18,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:29:18,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:18,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:29:18,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:18,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3
2025-08-31T09:29:18,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:18,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:29:18,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:18,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl
2025-08-31T09:29:18,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:18,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3
2025-08-31T09:29:18,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p
2025-08-31T09:29:18,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p
2025-08-31T09:29:18,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d
2025-08-31T09:29:18,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d
2025-08-31T09:29:18,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a
2025-08-31T09:29:18,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a
2025-08-31T09:29:18,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a
2025-08-31T09:29:18,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a
2025-08-31T09:29:18,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m
2025-08-31T09:29:18,740   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m
2025-08-31T09:29:18,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p
2025-08-31T09:29:18,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p
2025-08-31T09:29:18,746   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p
2025-08-31T09:29:18,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p
2025-08-31T09:29:18,750   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a
2025-08-31T09:29:18,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a
2025-08-31T09:29:18,754   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f
2025-08-31T09:29:18,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f
2025-08-31T09:29:18,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p
2025-08-31T09:29:18,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p
2025-08-31T09:29:18,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a
2025-08-31T09:29:18,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a
2025-08-31T09:29:18,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a
2025-08-31T09:29:18,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a
2025-08-31T09:29:18,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d
2025-08-31T09:29:18,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d
2025-08-31T09:29:18,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b
2025-08-31T09:29:18,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b
2025-08-31T09:29:18,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g
2025-08-31T09:29:18,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g
2025-08-31T09:29:18,780   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b
2025-08-31T09:29:18,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b
2025-08-31T09:29:18,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa
2025-08-31T09:29:18,785   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa
2025-08-31T09:29:18,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e
2025-08-31T09:29:18,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e
2025-08-31T09:29:18,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b
2025-08-31T09:29:18,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b
2025-08-31T09:29:18,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b
2025-08-31T09:29:18,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b
2025-08-31T09:29:18,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a
2025-08-31T09:29:18,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a
2025-08-31T09:29:18,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z
2025-08-31T09:29:18,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z
2025-08-31T09:29:18,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c
2025-08-31T09:29:18,808   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c
2025-08-31T09:29:18,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h
2025-08-31T09:29:18,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h
2025-08-31T09:29:18,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:18,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:29:18,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:18,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:29:18,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:18,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:29:18,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:18,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:29:18,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:18,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:29:18,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:18,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:29:18,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:18,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:29:18,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:18,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:29:18,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:18,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N
2025-08-31T09:29:18,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:18,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:29:18,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:18,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:29:18,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:18,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O
2025-08-31T09:29:18,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:18,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:29:18,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:18,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:29:18,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:18,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N
2025-08-31T09:29:18,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:18,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:29:18,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:18,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O
2025-08-31T09:29:18,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:18,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N
2025-08-31T09:29:18,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:18,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:29:18,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:18,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:29:18,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:18,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N
2025-08-31T09:29:18,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:18,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:29:18,898   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:18,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL
2025-08-31T09:29:18,902   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:18,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:29:18,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:18,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:29:18,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:18,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:29:18,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:18,914   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O
2025-08-31T09:29:18,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:18,918   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:29:18,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:18,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:29:18,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:18,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O
2025-08-31T09:29:18,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:18,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL
2025-08-31T09:29:18,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:18,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:29:18,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:18,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL
2025-08-31T09:29:18,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:18,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL
2025-08-31T09:29:18,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:18,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:29:18,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:18,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:29:18,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:18,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS
2025-08-31T09:29:18,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3
2025-08-31T09:29:18,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3
2025-08-31T09:29:18,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:18,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:29:18,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:18,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:29:18,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:18,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:29:18,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:18,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:29:18,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:18,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS
2025-08-31T09:29:18,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:18,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:29:18,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:18,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:29:18,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:18,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:29:18,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:18,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:29:18,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:18,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:29:18,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:18,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:29:18,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:19,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene
2025-08-31T09:29:19,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:19,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:29:19,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:19,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:29:19,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether
2025-08-31T09:29:19,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether
2025-08-31T09:29:19,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:19,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:29:19,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3
2025-08-31T09:29:19,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3
2025-08-31T09:29:19,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:19,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS
2025-08-31T09:29:19,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:19,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:29:19,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:19,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:29:19,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:19,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:29:19,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:19,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph
2025-08-31T09:29:19,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:19,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:29:19,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:19,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene
2025-08-31T09:29:19,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:19,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:29:19,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:19,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS
2025-08-31T09:29:19,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:19,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:29:19,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:19,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:29:19,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S
2025-08-31T09:29:19,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S
2025-08-31T09:29:19,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:19,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:29:19,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3
2025-08-31T09:29:19,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3
2025-08-31T09:29:19,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3
2025-08-31T09:29:19,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3
2025-08-31T09:29:19,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:29:19,078   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
2025-08-31T09:29:19,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:19,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:29:19,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3
2025-08-31T09:29:19,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3
2025-08-31T09:29:19,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:19,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:29:19,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:29:19,093   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
2025-08-31T09:29:19,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:19,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:29:19,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether
2025-08-31T09:29:19,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether
2025-08-31T09:29:19,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:19,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:29:19,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:19,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:29:19,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O
2025-08-31T09:29:19,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O
2025-08-31T09:29:19,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:19,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:29:19,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:19,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:29:19,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2
2025-08-31T09:29:19,123   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2
2025-08-31T09:29:19,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:19,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:29:19,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2
2025-08-31T09:29:19,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2
2025-08-31T09:29:19,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4
2025-08-31T09:29:19,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4
2025-08-31T09:29:19,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6
2025-08-31T09:29:19,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6
2025-08-31T09:29:19,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3
2025-08-31T09:29:19,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3
2025-08-31T09:29:19,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2
2025-08-31T09:29:19,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2
2025-08-31T09:29:19,148   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e
2025-08-31T09:29:19,149   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e
2025-08-31T09:29:19,152   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1
2025-08-31T09:29:19,153   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1
2025-08-31T09:29:19,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3
2025-08-31T09:29:19,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3
2025-08-31T09:29:19,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1
2025-08-31T09:29:19,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1
2025-08-31T09:29:19,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1
2025-08-31T09:29:19,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1
2025-08-31T09:29:19,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e
2025-08-31T09:29:19,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e
2025-08-31T09:29:19,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e
2025-08-31T09:29:19,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e
2025-08-31T09:29:19,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3
2025-08-31T09:29:19,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3
2025-08-31T09:29:19,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr
2025-08-31T09:29:19,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr
2025-08-31T09:29:19,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1
2025-08-31T09:29:19,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1
2025-08-31T09:29:19,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e
2025-08-31T09:29:19,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e
2025-08-31T09:29:19,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2
2025-08-31T09:29:19,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2
2025-08-31T09:29:19,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p
2025-08-31T09:29:19,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p
2025-08-31T09:29:19,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1
2025-08-31T09:29:19,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1
2025-08-31T09:29:19,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e
2025-08-31T09:29:19,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e
2025-08-31T09:29:19,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1
2025-08-31T09:29:19,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1
2025-08-31T09:29:19,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2
2025-08-31T09:29:19,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2
2025-08-31T09:29:19,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1
2025-08-31T09:29:19,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1
2025-08-31T09:29:19,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e
2025-08-31T09:29:19,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e
2025-08-31T09:29:19,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1
2025-08-31T09:29:19,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1
2025-08-31T09:29:19,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e
2025-08-31T09:29:19,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e
2025-08-31T09:29:19,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me
2025-08-31T09:29:19,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me
2025-08-31T09:29:19,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3
2025-08-31T09:29:19,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3
2025-08-31T09:29:19,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2
2025-08-31T09:29:19,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2
2025-08-31T09:29:19,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p
2025-08-31T09:29:19,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p
2025-08-31T09:29:19,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5
2025-08-31T09:29:19,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5
2025-08-31T09:29:19,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e
2025-08-31T09:29:19,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e
2025-08-31T09:29:19,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene
2025-08-31T09:29:19,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene
2025-08-31T09:29:19,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e
2025-08-31T09:29:19,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e
2025-08-31T09:29:19,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1
2025-08-31T09:29:19,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1
2025-08-31T09:29:19,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e
2025-08-31T09:29:19,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e
2025-08-31T09:29:19,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int
2025-08-31T09:29:19,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int
2025-08-31T09:29:19,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2
2025-08-31T09:29:19,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2
2025-08-31T09:29:19,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3
2025-08-31T09:29:19,271   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3
2025-08-31T09:29:19,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2
2025-08-31T09:29:19,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2
2025-08-31T09:29:19,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3
2025-08-31T09:29:19,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3
2025-08-31T09:29:19,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29
2025-08-31T09:29:19,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29
2025-08-31T09:29:19,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28
2025-08-31T09:29:19,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28
2025-08-31T09:29:19,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20
2025-08-31T09:29:19,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20
2025-08-31T09:29:19,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9
2025-08-31T09:29:19,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9
2025-08-31T09:29:19,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33
2025-08-31T09:29:19,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33
2025-08-31T09:29:19,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24
2025-08-31T09:29:19,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24
2025-08-31T09:29:19,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11
2025-08-31T09:29:19,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11
2025-08-31T09:29:19,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41
2025-08-31T09:29:19,307   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41
2025-08-31T09:29:19,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15
2025-08-31T09:29:19,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15
2025-08-31T09:29:19,313   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16
2025-08-31T09:29:19,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16
2025-08-31T09:29:19,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38
2025-08-31T09:29:19,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38
2025-08-31T09:29:19,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36
2025-08-31T09:29:19,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36
2025-08-31T09:29:19,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19
2025-08-31T09:29:19,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19
2025-08-31T09:29:19,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32
2025-08-31T09:29:19,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32
2025-08-31T09:29:19,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8
2025-08-31T09:29:19,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8
2025-08-31T09:29:19,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40
2025-08-31T09:29:19,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40
2025-08-31T09:29:19,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34
2025-08-31T09:29:19,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34
2025-08-31T09:29:19,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7
2025-08-31T09:29:19,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7
2025-08-31T09:29:19,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24
2025-08-31T09:29:19,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24
2025-08-31T09:29:19,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39
2025-08-31T09:29:19,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39
2025-08-31T09:29:19,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17
2025-08-31T09:29:19,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17
2025-08-31T09:29:19,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12
2025-08-31T09:29:19,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12
2025-08-31T09:29:19,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35
2025-08-31T09:29:19,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35
2025-08-31T09:29:19,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21
2025-08-31T09:29:19,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21
2025-08-31T09:29:19,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44
2025-08-31T09:29:19,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44
2025-08-31T09:29:19,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25
2025-08-31T09:29:19,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25
2025-08-31T09:29:19,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1
2025-08-31T09:29:19,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1
2025-08-31T09:29:19,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23
2025-08-31T09:29:19,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23
2025-08-31T09:29:19,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37
2025-08-31T09:29:19,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37
2025-08-31T09:29:19,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13
2025-08-31T09:29:19,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13
2025-08-31T09:29:19,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44
2025-08-31T09:29:19,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44
2025-08-31T09:29:19,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36
2025-08-31T09:29:19,394   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36
2025-08-31T09:29:19,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4
2025-08-31T09:29:19,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4
2025-08-31T09:29:19,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5
2025-08-31T09:29:19,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5
2025-08-31T09:29:19,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13
2025-08-31T09:29:19,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13
2025-08-31T09:29:19,408   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33
2025-08-31T09:29:19,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33
2025-08-31T09:29:19,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39
2025-08-31T09:29:19,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39
2025-08-31T09:29:19,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15
2025-08-31T09:29:19,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15
2025-08-31T09:29:19,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31
2025-08-31T09:29:19,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31
2025-08-31T09:29:19,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3
2025-08-31T09:29:19,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3
2025-08-31T09:29:19,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31
2025-08-31T09:29:19,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31
2025-08-31T09:29:19,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42
2025-08-31T09:29:19,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42
2025-08-31T09:29:19,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22
2025-08-31T09:29:19,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22
2025-08-31T09:29:19,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30
2025-08-31T09:29:19,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30
2025-08-31T09:29:19,439   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43
2025-08-31T09:29:19,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43
2025-08-31T09:29:19,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6
2025-08-31T09:29:19,444   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6
2025-08-31T09:29:19,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38
2025-08-31T09:29:19,448   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38
2025-08-31T09:29:19,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23
2025-08-31T09:29:19,452   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23
2025-08-31T09:29:19,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10
2025-08-31T09:29:19,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10
2025-08-31T09:29:19,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6
2025-08-31T09:29:19,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6
2025-08-31T09:29:19,462   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4
2025-08-31T09:29:19,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4
2025-08-31T09:29:19,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8
2025-08-31T09:29:19,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8
2025-08-31T09:29:19,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16
2025-08-31T09:29:19,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16
2025-08-31T09:29:19,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28
2025-08-31T09:29:19,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28
2025-08-31T09:29:19,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18
2025-08-31T09:29:19,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18
2025-08-31T09:29:19,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19
2025-08-31T09:29:19,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19
2025-08-31T09:29:19,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43
2025-08-31T09:29:19,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43
2025-08-31T09:29:19,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2
2025-08-31T09:29:19,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2
2025-08-31T09:29:19,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32
2025-08-31T09:29:19,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32
2025-08-31T09:29:19,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20
2025-08-31T09:29:19,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20
2025-08-31T09:29:19,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3
2025-08-31T09:29:19,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3
2025-08-31T09:29:19,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27
2025-08-31T09:29:19,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27
2025-08-31T09:29:19,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40
2025-08-31T09:29:19,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40
2025-08-31T09:29:19,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11
2025-08-31T09:29:19,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11
2025-08-31T09:29:19,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35
2025-08-31T09:29:19,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35
2025-08-31T09:29:19,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26
2025-08-31T09:29:19,519   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26
2025-08-31T09:29:19,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26
2025-08-31T09:29:19,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26
2025-08-31T09:29:19,526   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21
2025-08-31T09:29:19,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21
2025-08-31T09:29:19,530   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42
2025-08-31T09:29:19,531   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42
2025-08-31T09:29:19,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18
2025-08-31T09:29:19,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18
2025-08-31T09:29:19,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41
2025-08-31T09:29:19,538   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41
2025-08-31T09:29:19,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5
2025-08-31T09:29:19,542   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5
2025-08-31T09:29:19,544   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37
2025-08-31T09:29:19,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37
2025-08-31T09:29:19,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9
2025-08-31T09:29:19,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9
2025-08-31T09:29:19,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1
2025-08-31T09:29:19,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1
2025-08-31T09:29:19,555   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45
2025-08-31T09:29:19,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45
2025-08-31T09:29:19,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7
2025-08-31T09:29:19,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7
2025-08-31T09:29:19,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29
2025-08-31T09:29:19,564   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29
2025-08-31T09:29:19,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17
2025-08-31T09:29:19,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17
2025-08-31T09:29:19,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2
2025-08-31T09:29:19,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2
2025-08-31T09:29:19,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12
2025-08-31T09:29:19,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12
2025-08-31T09:29:19,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34
2025-08-31T09:29:19,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34
2025-08-31T09:29:19,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10
2025-08-31T09:29:19,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10
2025-08-31T09:29:19,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27
2025-08-31T09:29:19,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27
2025-08-31T09:29:19,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45
2025-08-31T09:29:19,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45
2025-08-31T09:29:19,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22
2025-08-31T09:29:19,596   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22
2025-08-31T09:29:19,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25
2025-08-31T09:29:19,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25
2025-08-31T09:29:19,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30
2025-08-31T09:29:19,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30
2025-08-31T09:29:19,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:29:19,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:29:19,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:29:19,611   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
2025-08-31T09:29:19,613   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:29:19,615   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
2025-08-31T09:29:19,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6
2025-08-31T09:29:19,618   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6
2025-08-31T09:29:19,621   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5
2025-08-31T09:29:19,622   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5
2025-08-31T09:29:19,625   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2
2025-08-31T09:29:19,626   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2
2025-08-31T09:29:19,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:29:19,630   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
2025-08-31T09:29:19,632   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:29:19,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:29:19,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:29:19,638   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:29:19,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:29:19,642   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:29:19,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4
2025-08-31T09:29:19,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4
2025-08-31T09:29:19,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6
2025-08-31T09:29:19,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6
2025-08-31T09:29:19,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts
2025-08-31T09:29:19,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts
2025-08-31T09:29:19,658   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:29:19,660   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
2025-08-31T09:29:19,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:29:19,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:29:19,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5
2025-08-31T09:29:19,667   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5
2025-08-31T09:29:19,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts
2025-08-31T09:29:19,671   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts
2025-08-31T09:29:19,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:29:19,675   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:29:19,678   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:29:19,679   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:29:19,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9
2025-08-31T09:29:19,683   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9
2025-08-31T09:29:19,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts
2025-08-31T09:29:19,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts
2025-08-31T09:29:19,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts
2025-08-31T09:29:19,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts
2025-08-31T09:29:19,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8
2025-08-31T09:29:19,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8
2025-08-31T09:29:19,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:29:19,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:29:19,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts
2025-08-31T09:29:19,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts
2025-08-31T09:29:19,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r
2025-08-31T09:29:19,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r
2025-08-31T09:29:19,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:29:19,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:29:19,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:29:19,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:29:19,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r
2025-08-31T09:29:19,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r
2025-08-31T09:29:19,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3
2025-08-31T09:29:19,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3
2025-08-31T09:29:19,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts
2025-08-31T09:29:19,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts
2025-08-31T09:29:19,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts
2025-08-31T09:29:19,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts
2025-08-31T09:29:19,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts
2025-08-31T09:29:19,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts
2025-08-31T09:29:19,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:29:19,735   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
2025-08-31T09:29:19,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r
2025-08-31T09:29:19,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r
2025-08-31T09:29:19,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10
2025-08-31T09:29:19,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10
2025-08-31T09:29:19,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:29:19,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:29:19,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r
2025-08-31T09:29:19,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r
2025-08-31T09:29:19,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r
2025-08-31T09:29:19,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r
2025-08-31T09:29:19,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:29:19,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:29:19,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:29:19,761   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:29:19,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r
2025-08-31T09:29:19,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r
2025-08-31T09:29:19,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r
2025-08-31T09:29:19,768   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r
2025-08-31T09:29:19,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4
2025-08-31T09:29:19,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4
2025-08-31T09:29:19,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r
2025-08-31T09:29:19,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r
2025-08-31T09:29:19,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1
2025-08-31T09:29:19,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1
2025-08-31T09:29:19,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7
2025-08-31T09:29:19,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7
2025-08-31T09:29:19,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:29:19,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:29:19,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2
2025-08-31T09:29:19,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2
2025-08-31T09:29:19,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11
2025-08-31T09:29:19,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11
2025-08-31T09:29:19,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:29:19,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:29:19,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:29:19,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:29:19,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:29:19,805   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
2025-08-31T09:29:19,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9
2025-08-31T09:29:19,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9
2025-08-31T09:29:19,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1
2025-08-31T09:29:19,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1
2025-08-31T09:29:19,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts
2025-08-31T09:29:19,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts
2025-08-31T09:29:19,818   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:29:19,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:29:19,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7
2025-08-31T09:29:19,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7
2025-08-31T09:29:19,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:29:19,827   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
2025-08-31T09:29:19,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3
2025-08-31T09:29:19,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3
2025-08-31T09:29:19,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8
2025-08-31T09:29:19,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8
2025-08-31T09:29:19,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:29:19,839   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
2025-08-31T09:29:19,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:29:19,842   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
2025-08-31T09:29:19,845   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:29:19,846   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
2025-08-31T09:29:19,848   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:29:19,850   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
2025-08-31T09:29:19,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:29:19,854   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
2025-08-31T09:29:19,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h
2025-08-31T09:29:19,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h
2025-08-31T09:29:19,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:29:19,861   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
2025-08-31T09:29:19,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:19,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:29:19,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:29:19,868   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
2025-08-31T09:29:19,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:29:19,871   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
2025-08-31T09:29:19,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:29:19,875   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
2025-08-31T09:29:19,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:19,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o
2025-08-31T09:29:19,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:29:19,882   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
2025-08-31T09:29:19,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:29:19,886   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
2025-08-31T09:29:19,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:29:19,890   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
2025-08-31T09:29:19,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:29:19,893   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
2025-08-31T09:29:19,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:29:19,897   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
2025-08-31T09:29:19,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:19,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+
2025-08-31T09:29:19,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:29:19,904   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
2025-08-31T09:29:19,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:29:19,908   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
2025-08-31T09:29:19,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:19,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:29:19,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:19,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3
2025-08-31T09:29:19,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he
2025-08-31T09:29:19,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he
2025-08-31T09:29:19,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f
2025-08-31T09:29:19,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f
2025-08-31T09:29:19,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2
2025-08-31T09:29:19,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2
2025-08-31T09:29:19,929   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l
2025-08-31T09:29:19,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l
2025-08-31T09:29:19,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:19,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer
2025-08-31T09:29:19,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant
2025-08-31T09:29:19,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant
2025-08-31T09:29:19,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:19,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene
2025-08-31T09:29:19,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1
2025-08-31T09:29:19,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1
2025-08-31T09:29:19,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22
2025-08-31T09:29:19,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22
2025-08-31T09:29:19,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l
2025-08-31T09:29:19,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l
2025-08-31T09:29:19,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:19,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1
2025-08-31T09:29:19,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2
2025-08-31T09:29:19,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2
2025-08-31T09:29:19,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f
2025-08-31T09:29:19,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f
2025-08-31T09:29:19,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:19,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2
2025-08-31T09:29:19,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:19,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:29:19,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:19,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:29:19,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:19,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:29:19,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:19,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:29:19,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:19,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:29:19,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:19,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:29:19,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:19,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:29:19,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:20,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:29:20,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:20,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:29:20,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:20,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:29:20,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:20,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:29:20,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:20,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:29:20,019   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:20,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:29:20,023   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:20,024   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:29:20,027   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:20,028   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:29:20,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:20,032   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:29:20,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:20,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:29:20,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:20,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:29:20,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:20,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:29:20,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:20,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:29:20,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:20,050   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:29:20,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:20,054   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:29:20,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:20,058   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:29:20,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:20,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:29:20,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:20,065   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:29:20,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:20,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:29:20,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:20,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:29:20,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:20,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:29:20,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:20,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:29:20,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:20,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:29:20,086   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:20,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:29:20,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:20,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:29:20,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:20,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:29:20,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:20,099   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:29:20,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:20,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:29:20,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:20,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:29:20,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:20,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:29:20,113   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:20,114   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:29:20,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:20,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:29:20,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:20,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:29:20,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:20,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:29:20,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:20,129   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:29:20,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:20,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:29:20,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:20,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:29:20,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:20,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:29:20,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:20,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:29:20,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:20,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:29:20,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:20,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:29:20,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:20,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:29:20,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:20,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:29:20,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:20,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:29:20,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:20,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:29:20,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:20,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:29:20,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:20,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:29:20,175   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:20,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:29:20,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:20,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:29:20,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:20,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:29:20,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:20,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:29:20,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:20,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:29:20,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:20,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:29:20,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:20,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:29:20,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:20,202   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:29:20,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:20,206   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:29:20,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:20,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:29:20,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:20,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:29:20,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:20,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li
2025-08-31T09:29:20,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:20,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio
2025-08-31T09:29:20,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:20,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h
2025-08-31T09:29:20,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:20,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif
2025-08-31T09:29:20,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:20,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s
2025-08-31T09:29:20,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:20,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na
2025-08-31T09:29:20,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:20,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo
2025-08-31T09:29:20,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:20,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg
2025-08-31T09:29:20,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:20,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k
2025-08-31T09:29:20,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:20,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o
2025-08-31T09:29:20,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:20,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf
2025-08-31T09:29:20,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:20,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be
2025-08-31T09:29:20,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:20,261   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao
2025-08-31T09:29:20,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:20,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:29:20,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:20,269   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f
2025-08-31T09:29:20,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:20,273   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf
2025-08-31T09:29:20,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:20,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:29:20,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:20,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao
2025-08-31T09:29:20,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:20,284   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca
2025-08-31T09:29:20,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:20,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef
2025-08-31T09:29:20,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:20,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg
2025-08-31T09:29:20,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:29:20,295   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+
2025-08-31T09:29:20,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:29:20,299   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-
2025-08-31T09:29:20,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:20,303   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt
2025-08-31T09:29:20,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:20,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX
2025-08-31T09:29:20,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:20,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG
2025-08-31T09:29:20,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:29:20,314   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-
2025-08-31T09:29:20,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:20,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt
2025-08-31T09:29:20,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:29:20,321   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-
2025-08-31T09:29:20,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:20,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt
2025-08-31T09:29:20,327   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:29:20,328   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-
2025-08-31T09:29:20,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:20,332   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG
2025-08-31T09:29:20,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T
2025-08-31T09:29:20,336   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T
2025-08-31T09:29:20,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:20,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT
2025-08-31T09:29:20,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:29:20,343   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+
2025-08-31T09:29:20,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:20,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg
2025-08-31T09:29:20,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G
2025-08-31T09:29:20,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G
2025-08-31T09:29:20,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:20,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg
2025-08-31T09:29:20,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23
2025-08-31T09:29:20,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23
2025-08-31T09:29:20,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11
2025-08-31T09:29:20,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11
2025-08-31T09:29:20,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b
2025-08-31T09:29:20,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b
2025-08-31T09:29:20,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15
2025-08-31T09:29:20,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15
2025-08-31T09:29:20,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a
2025-08-31T09:29:20,374   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a
2025-08-31T09:29:20,376   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a
2025-08-31T09:29:20,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a
2025-08-31T09:29:20,380   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20
2025-08-31T09:29:20,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20
2025-08-31T09:29:20,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6
2025-08-31T09:29:20,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6
2025-08-31T09:29:20,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b
2025-08-31T09:29:20,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b
2025-08-31T09:29:20,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b
2025-08-31T09:29:20,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b
2025-08-31T09:29:20,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8
2025-08-31T09:29:20,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8
2025-08-31T09:29:20,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9
2025-08-31T09:29:20,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9
2025-08-31T09:29:20,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b
2025-08-31T09:29:20,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b
2025-08-31T09:29:20,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a
2025-08-31T09:29:20,407   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a
2025-08-31T09:29:20,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a
2025-08-31T09:29:20,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a
2025-08-31T09:29:20,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a
2025-08-31T09:29:20,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a
2025-08-31T09:29:20,417   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14
2025-08-31T09:29:20,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14
2025-08-31T09:29:20,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b
2025-08-31T09:29:20,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b
2025-08-31T09:29:20,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22
2025-08-31T09:29:20,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22
2025-08-31T09:29:20,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b
2025-08-31T09:29:20,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b
2025-08-31T09:29:20,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b
2025-08-31T09:29:20,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b
2025-08-31T09:29:20,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a
2025-08-31T09:29:20,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a
2025-08-31T09:29:20,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a
2025-08-31T09:29:20,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a
2025-08-31T09:29:20,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a
2025-08-31T09:29:20,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a
2025-08-31T09:29:20,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b
2025-08-31T09:29:20,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b
2025-08-31T09:29:20,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a
2025-08-31T09:29:20,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a
2025-08-31T09:29:20,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2
2025-08-31T09:29:20,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2
2025-08-31T09:29:20,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19
2025-08-31T09:29:20,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19
2025-08-31T09:29:20,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a
2025-08-31T09:29:20,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a
2025-08-31T09:29:20,466   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b
2025-08-31T09:29:20,467   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b
2025-08-31T09:29:20,470   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16
2025-08-31T09:29:20,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16
2025-08-31T09:29:20,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b
2025-08-31T09:29:20,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b
2025-08-31T09:29:20,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a
2025-08-31T09:29:20,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a
2025-08-31T09:29:20,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1
2025-08-31T09:29:20,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1
2025-08-31T09:29:20,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b
2025-08-31T09:29:20,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b
2025-08-31T09:29:20,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a
2025-08-31T09:29:20,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a
2025-08-31T09:29:20,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b
2025-08-31T09:29:20,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b
2025-08-31T09:29:20,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a
2025-08-31T09:29:20,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a
2025-08-31T09:29:20,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a
2025-08-31T09:29:20,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a
2025-08-31T09:29:20,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b
2025-08-31T09:29:20,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b
2025-08-31T09:29:20,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10
2025-08-31T09:29:20,508   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10
2025-08-31T09:29:20,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5
2025-08-31T09:29:20,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5
2025-08-31T09:29:20,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a
2025-08-31T09:29:20,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a
2025-08-31T09:29:20,518   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b
2025-08-31T09:29:20,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b
2025-08-31T09:29:20,522   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b
2025-08-31T09:29:20,523   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b
2025-08-31T09:29:20,525   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b
2025-08-31T09:29:20,527   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b
2025-08-31T09:29:20,529   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b
2025-08-31T09:29:20,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b
2025-08-31T09:29:20,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a
2025-08-31T09:29:20,534   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a
2025-08-31T09:29:20,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a
2025-08-31T09:29:20,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a
2025-08-31T09:29:20,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12
2025-08-31T09:29:20,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12
2025-08-31T09:29:20,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a
2025-08-31T09:29:20,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a
2025-08-31T09:29:20,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a
2025-08-31T09:29:20,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a
2025-08-31T09:29:20,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13
2025-08-31T09:29:20,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13
2025-08-31T09:29:20,681   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b
2025-08-31T09:29:20,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b
2025-08-31T09:29:20,686   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a
2025-08-31T09:29:20,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a
2025-08-31T09:29:20,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a
2025-08-31T09:29:20,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a
2025-08-31T09:29:20,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18
2025-08-31T09:29:20,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18
2025-08-31T09:29:20,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7
2025-08-31T09:29:20,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7
2025-08-31T09:29:20,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b
2025-08-31T09:29:20,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b
2025-08-31T09:29:20,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a
2025-08-31T09:29:20,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a
2025-08-31T09:29:20,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b
2025-08-31T09:29:20,711   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b
2025-08-31T09:29:20,713   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21
2025-08-31T09:29:20,715   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21
2025-08-31T09:29:20,718   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b
2025-08-31T09:29:20,719   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b
2025-08-31T09:29:20,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3
2025-08-31T09:29:20,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3
2025-08-31T09:29:20,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a
2025-08-31T09:29:20,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a
2025-08-31T09:29:20,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b
2025-08-31T09:29:20,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b
2025-08-31T09:29:20,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4
2025-08-31T09:29:20,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4
2025-08-31T09:29:20,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17
2025-08-31T09:29:20,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17
2025-08-31T09:29:20,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b
2025-08-31T09:29:20,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b
2025-08-31T09:29:20,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A
2025-08-31T09:29:20,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A
2025-08-31T09:29:20,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228
2025-08-31T09:29:20,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228
2025-08-31T09:29:20,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213
2025-08-31T09:29:20,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213
2025-08-31T09:29:20,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B
2025-08-31T09:29:20,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B
2025-08-31T09:29:20,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A
2025-08-31T09:29:20,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A
2025-08-31T09:29:20,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B
2025-08-31T09:29:20,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B
2025-08-31T09:29:20,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B
2025-08-31T09:29:20,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B
2025-08-31T09:29:20,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A
2025-08-31T09:29:20,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A
2025-08-31T09:29:20,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A
2025-08-31T09:29:20,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A
2025-08-31T09:29:20,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212
2025-08-31T09:29:20,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212
2025-08-31T09:29:20,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B
2025-08-31T09:29:20,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B
2025-08-31T09:29:20,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202
2025-08-31T09:29:20,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202
2025-08-31T09:29:20,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152
2025-08-31T09:29:20,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152
2025-08-31T09:29:20,799   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B
2025-08-31T09:29:20,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B
2025-08-31T09:29:20,803   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B
2025-08-31T09:29:20,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B
2025-08-31T09:29:20,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008
2025-08-31T09:29:20,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008
2025-08-31T09:29:20,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A
2025-08-31T09:29:20,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A
2025-08-31T09:29:20,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A
2025-08-31T09:29:20,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A
2025-08-31T09:29:20,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150
2025-08-31T09:29:20,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150
2025-08-31T09:29:20,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A
2025-08-31T09:29:20,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A
2025-08-31T09:29:20,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B
2025-08-31T09:29:20,827   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B
2025-08-31T09:29:20,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A
2025-08-31T09:29:20,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A
2025-08-31T09:29:20,833   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B
2025-08-31T09:29:20,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B
2025-08-31T09:29:20,837   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B
2025-08-31T09:29:20,838   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B
2025-08-31T09:29:20,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A
2025-08-31T09:29:20,842   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A
2025-08-31T09:29:20,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B
2025-08-31T09:29:20,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B
2025-08-31T09:29:20,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230
2025-08-31T09:29:20,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230
2025-08-31T09:29:20,852   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A
2025-08-31T09:29:20,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A
2025-08-31T09:29:20,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B
2025-08-31T09:29:20,857   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B
2025-08-31T09:29:20,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229
2025-08-31T09:29:20,861   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229
2025-08-31T09:29:20,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B
2025-08-31T09:29:20,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B
2025-08-31T09:29:20,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144
2025-08-31T09:29:20,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144
2025-08-31T09:29:20,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147
2025-08-31T09:29:20,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147
2025-08-31T09:29:20,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B
2025-08-31T09:29:20,877   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B
2025-08-31T09:29:20,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A
2025-08-31T09:29:20,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A
2025-08-31T09:29:20,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227
2025-08-31T09:29:20,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227
2025-08-31T09:29:20,886   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148
2025-08-31T09:29:20,887   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148
2025-08-31T09:29:20,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B
2025-08-31T09:29:20,891   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B
2025-08-31T09:29:20,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A
2025-08-31T09:29:20,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A
2025-08-31T09:29:20,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187
2025-08-31T09:29:20,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187
2025-08-31T09:29:20,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A
2025-08-31T09:29:20,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A
2025-08-31T09:29:20,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A
2025-08-31T09:29:20,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A
2025-08-31T09:29:20,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214
2025-08-31T09:29:20,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214
2025-08-31T09:29:20,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B
2025-08-31T09:29:20,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B
2025-08-31T09:29:20,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A
2025-08-31T09:29:20,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A
2025-08-31T09:29:20,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231
2025-08-31T09:29:20,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231
2025-08-31T09:29:20,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B
2025-08-31T09:29:20,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B
2025-08-31T09:29:20,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A
2025-08-31T09:29:20,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A
2025-08-31T09:29:20,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A
2025-08-31T09:29:20,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A
2025-08-31T09:29:20,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B
2025-08-31T09:29:20,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B
2025-08-31T09:29:20,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A
2025-08-31T09:29:20,939   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A
2025-08-31T09:29:20,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11
2025-08-31T09:29:20,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11
2025-08-31T09:29:20,945   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B
2025-08-31T09:29:20,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B
2025-08-31T09:29:20,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A
2025-08-31T09:29:20,950   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A
2025-08-31T09:29:20,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A
2025-08-31T09:29:20,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A
2025-08-31T09:29:20,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A
2025-08-31T09:29:20,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A
2025-08-31T09:29:20,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B
2025-08-31T09:29:20,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B
2025-08-31T09:29:20,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15
2025-08-31T09:29:20,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15
2025-08-31T09:29:20,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A
2025-08-31T09:29:20,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A
2025-08-31T09:29:20,970   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A
2025-08-31T09:29:20,971   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A
2025-08-31T09:29:20,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20
2025-08-31T09:29:20,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20
2025-08-31T09:29:20,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6
2025-08-31T09:29:20,978   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6
2025-08-31T09:29:20,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A
2025-08-31T09:29:20,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A
2025-08-31T09:29:20,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8
2025-08-31T09:29:20,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8
2025-08-31T09:29:20,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9
2025-08-31T09:29:20,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9
2025-08-31T09:29:20,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B
2025-08-31T09:29:20,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B
2025-08-31T09:29:20,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B
2025-08-31T09:29:20,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B
2025-08-31T09:29:20,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B
2025-08-31T09:29:21,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B
2025-08-31T09:29:21,002   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A
2025-08-31T09:29:21,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A
2025-08-31T09:29:21,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14
2025-08-31T09:29:21,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14
2025-08-31T09:29:21,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B
2025-08-31T09:29:21,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B
2025-08-31T09:29:21,013   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A
2025-08-31T09:29:21,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A
2025-08-31T09:29:21,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B
2025-08-31T09:29:21,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B
2025-08-31T09:29:21,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A
2025-08-31T09:29:21,022   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A
2025-08-31T09:29:21,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B
2025-08-31T09:29:21,026   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B
2025-08-31T09:29:21,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A
2025-08-31T09:29:21,030   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A
2025-08-31T09:29:21,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A
2025-08-31T09:29:21,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A
2025-08-31T09:29:21,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B
2025-08-31T09:29:21,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B
2025-08-31T09:29:21,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B
2025-08-31T09:29:21,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B
2025-08-31T09:29:21,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B
2025-08-31T09:29:21,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B
2025-08-31T09:29:21,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2
2025-08-31T09:29:21,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2
2025-08-31T09:29:21,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19
2025-08-31T09:29:21,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19
2025-08-31T09:29:21,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B
2025-08-31T09:29:21,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B
2025-08-31T09:29:21,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B
2025-08-31T09:29:21,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B
2025-08-31T09:29:21,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16
2025-08-31T09:29:21,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16
2025-08-31T09:29:21,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1
2025-08-31T09:29:21,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1
2025-08-31T09:29:21,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B
2025-08-31T09:29:21,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B
2025-08-31T09:29:21,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B
2025-08-31T09:29:21,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B
2025-08-31T09:29:21,078   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B
2025-08-31T09:29:21,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B
2025-08-31T09:29:21,082   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A
2025-08-31T09:29:21,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A
2025-08-31T09:29:21,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B
2025-08-31T09:29:21,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B
2025-08-31T09:29:21,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A
2025-08-31T09:29:21,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A
2025-08-31T09:29:21,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10
2025-08-31T09:29:21,095   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10
2025-08-31T09:29:21,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5
2025-08-31T09:29:21,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5
2025-08-31T09:29:21,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A
2025-08-31T09:29:21,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A
2025-08-31T09:29:21,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A
2025-08-31T09:29:21,106   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A
2025-08-31T09:29:21,109   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A
2025-08-31T09:29:21,110   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A
2025-08-31T09:29:21,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12
2025-08-31T09:29:21,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12
2025-08-31T09:29:21,116   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13
2025-08-31T09:29:21,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13
2025-08-31T09:29:21,120   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18
2025-08-31T09:29:21,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18
2025-08-31T09:29:21,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7
2025-08-31T09:29:21,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7
2025-08-31T09:29:21,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B
2025-08-31T09:29:21,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B
2025-08-31T09:29:21,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B
2025-08-31T09:29:21,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B
2025-08-31T09:29:21,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A
2025-08-31T09:29:21,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A
2025-08-31T09:29:21,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21
2025-08-31T09:29:21,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21
2025-08-31T09:29:21,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B
2025-08-31T09:29:21,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B
2025-08-31T09:29:21,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3
2025-08-31T09:29:21,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3
2025-08-31T09:29:21,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A
2025-08-31T09:29:21,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A
2025-08-31T09:29:21,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A
2025-08-31T09:29:21,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A
2025-08-31T09:29:21,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4
2025-08-31T09:29:21,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4
2025-08-31T09:29:21,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17
2025-08-31T09:29:21,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17
2025-08-31T09:29:21,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:21,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:29:21,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:21,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3
2025-08-31T09:29:21,174   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:21,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F
2025-08-31T09:29:21,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:21,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut
2025-08-31T09:29:21,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:21,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:29:21,186   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2
2025-08-31T09:29:21,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2
2025-08-31T09:29:21,190   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:21,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H
2025-08-31T09:29:21,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz
2025-08-31T09:29:21,195   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz
2025-08-31T09:29:21,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:21,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3
2025-08-31T09:29:21,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:21,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:29:21,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:21,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:29:21,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:21,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3
2025-08-31T09:29:21,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:21,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:29:21,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:21,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3
2025-08-31T09:29:21,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch
2025-08-31T09:29:21,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch
2025-08-31T09:29:21,224   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2
2025-08-31T09:29:21,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2
2025-08-31T09:29:21,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:21,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3
2025-08-31T09:29:21,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:21,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:29:21,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:21,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3
2025-08-31T09:29:21,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:21,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:29:21,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:21,244   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3
2025-08-31T09:29:21,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:29:21,249   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
2025-08-31T09:29:21,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8
2025-08-31T09:29:21,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8
2025-08-31T09:29:21,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:21,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c
2025-08-31T09:29:21,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:21,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:29:21,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+
2025-08-31T09:29:21,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+
2025-08-31T09:29:21,267   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:29:21,268   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
2025-08-31T09:29:21,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2
2025-08-31T09:29:21,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2
2025-08-31T09:29:21,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:21,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:29:21,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:21,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4
2025-08-31T09:29:21,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8
2025-08-31T09:29:21,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8
2025-08-31T09:29:21,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+
2025-08-31T09:29:21,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+
2025-08-31T09:29:21,289   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:21,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch
2025-08-31T09:29:21,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:21,294   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2
2025-08-31T09:29:21,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me
2025-08-31T09:29:21,298   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me
2025-08-31T09:29:21,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:21,302   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me
2025-08-31T09:29:21,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2
2025-08-31T09:29:21,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2
2025-08-31T09:29:21,308   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h
2025-08-31T09:29:21,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h
2025-08-31T09:29:21,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:21,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3
2025-08-31T09:29:21,317   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:21,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6
2025-08-31T09:29:21,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:21,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:29:21,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:21,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2
2025-08-31T09:29:21,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:21,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6
2025-08-31T09:29:21,331   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:21,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3
2025-08-31T09:29:21,335   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:21,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4
2025-08-31T09:29:21,339   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:21,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3
2025-08-31T09:29:21,343   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:21,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6
2025-08-31T09:29:21,347   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:21,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5
2025-08-31T09:29:21,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:21,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3
2025-08-31T09:29:21,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:21,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:29:21,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:21,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:29:21,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:21,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:29:21,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:21,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:29:21,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:21,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s
2025-08-31T09:29:21,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:21,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:29:21,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:21,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:29:21,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:21,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2
2025-08-31T09:29:21,384   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:21,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:29:21,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:21,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:29:21,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:21,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3
2025-08-31T09:29:21,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:21,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3
2025-08-31T09:29:21,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:21,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:29:21,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:21,403   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:29:21,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:21,407   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:29:21,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:21,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3
2025-08-31T09:29:21,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:21,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:29:21,417   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:21,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:29:21,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:21,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:29:21,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:21,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s
2025-08-31T09:29:21,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:21,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3
2025-08-31T09:29:21,431   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:21,432   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:29:21,435   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:21,436   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:29:21,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:21,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:29:21,442   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:21,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3
2025-08-31T09:29:21,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:21,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22
2025-08-31T09:29:21,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:21,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:29:21,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:21,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s
2025-08-31T09:29:21,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:21,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3
2025-08-31T09:29:21,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:21,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH
2025-08-31T09:29:21,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:21,465   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl
2025-08-31T09:29:21,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02
2025-08-31T09:29:21,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02
2025-08-31T09:29:21,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:21,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:29:21,475   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o
2025-08-31T09:29:21,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o
2025-08-31T09:29:21,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2
2025-08-31T09:29:21,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2
2025-08-31T09:29:21,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05
2025-08-31T09:29:21,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05
2025-08-31T09:29:21,485   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08
2025-08-31T09:29:21,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08
2025-08-31T09:29:21,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18
2025-08-31T09:29:21,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18
2025-08-31T09:29:21,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h
2025-08-31T09:29:21,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h
2025-08-31T09:29:21,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:21,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts
2025-08-31T09:29:21,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06
2025-08-31T09:29:21,500   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06
2025-08-31T09:29:21,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2
2025-08-31T09:29:21,504   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2
2025-08-31T09:29:21,506   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:21,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts
2025-08-31T09:29:21,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5
2025-08-31T09:29:21,511   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5
2025-08-31T09:29:21,513   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15
2025-08-31T09:29:21,514   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15
2025-08-31T09:29:21,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:21,518   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts
2025-08-31T09:29:21,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:21,522   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts
2025-08-31T09:29:21,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc
2025-08-31T09:29:21,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc
2025-08-31T09:29:21,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf
2025-08-31T09:29:21,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf
2025-08-31T09:29:21,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:21,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts
2025-08-31T09:29:21,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco
2025-08-31T09:29:21,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco
2025-08-31T09:29:21,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4
2025-08-31T09:29:21,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4
2025-08-31T09:29:21,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14
2025-08-31T09:29:21,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14
2025-08-31T09:29:21,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh
2025-08-31T09:29:21,547   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh
2025-08-31T09:29:21,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13
2025-08-31T09:29:21,551   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13
2025-08-31T09:29:21,553   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:21,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:29:21,557   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09
2025-08-31T09:29:21,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09
2025-08-31T09:29:21,561   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf
2025-08-31T09:29:21,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf
2025-08-31T09:29:21,564   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2
2025-08-31T09:29:21,565   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2
2025-08-31T09:29:21,568   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2
2025-08-31T09:29:21,569   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2
2025-08-31T09:29:21,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07
2025-08-31T09:29:21,573   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07
2025-08-31T09:29:21,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8
2025-08-31T09:29:21,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8
2025-08-31T09:29:21,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:21,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts
2025-08-31T09:29:21,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10
2025-08-31T09:29:21,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10
2025-08-31T09:29:21,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:21,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts
2025-08-31T09:29:21,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:21,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts
2025-08-31T09:29:21,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:21,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:29:21,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts
2025-08-31T09:29:21,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts
2025-08-31T09:29:21,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2
2025-08-31T09:29:21,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2
2025-08-31T09:29:21,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl
2025-08-31T09:29:21,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl
2025-08-31T09:29:21,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f
2025-08-31T09:29:21,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f
2025-08-31T09:29:21,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19
2025-08-31T09:29:21,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19
2025-08-31T09:29:21,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:21,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts
2025-08-31T09:29:21,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03
2025-08-31T09:29:21,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03
2025-08-31T09:29:21,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:21,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts
2025-08-31T09:29:21,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3
2025-08-31T09:29:21,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3
2025-08-31T09:29:21,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16
2025-08-31T09:29:21,630   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16
2025-08-31T09:29:21,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3
2025-08-31T09:29:21,634   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3
2025-08-31T09:29:21,636   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12
2025-08-31T09:29:21,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12
2025-08-31T09:29:21,640   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6
2025-08-31T09:29:21,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6
2025-08-31T09:29:21,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:21,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:29:21,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S
2025-08-31T09:29:21,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S
2025-08-31T09:29:21,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01
2025-08-31T09:29:21,652   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01
2025-08-31T09:29:21,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O
2025-08-31T09:29:21,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O
2025-08-31T09:29:21,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04
2025-08-31T09:29:21,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04
2025-08-31T09:29:21,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20
2025-08-31T09:29:21,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20
2025-08-31T09:29:21,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts
2025-08-31T09:29:21,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts
2025-08-31T09:29:21,668   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7
2025-08-31T09:29:21,669   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7
2025-08-31T09:29:21,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H
2025-08-31T09:29:21,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H
2025-08-31T09:29:21,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-
2025-08-31T09:29:21,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-
2025-08-31T09:29:21,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS
2025-08-31T09:29:21,681   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS
2025-08-31T09:29:21,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3
2025-08-31T09:29:21,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3
2025-08-31T09:29:21,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-
2025-08-31T09:29:21,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-
2025-08-31T09:29:21,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4
2025-08-31T09:29:21,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4
2025-08-31T09:29:21,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2
2025-08-31T09:29:21,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2
2025-08-31T09:29:21,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22
2025-08-31T09:29:21,699   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22
2025-08-31T09:29:21,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5
2025-08-31T09:29:21,703   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5
2025-08-31T09:29:21,705   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:21,707   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh
2025-08-31T09:29:21,709   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:21,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:29:21,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH
2025-08-31T09:29:21,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH
2025-08-31T09:29:21,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:21,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:29:21,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co
2025-08-31T09:29:21,721   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co
2025-08-31T09:29:21,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:21,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts
2025-08-31T09:29:21,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts
2025-08-31T09:29:21,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts
2025-08-31T09:29:21,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f
2025-08-31T09:29:21,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f
2025-08-31T09:29:21,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O
2025-08-31T09:29:21,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O
2025-08-31T09:29:21,737   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2
2025-08-31T09:29:21,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2
2025-08-31T09:29:21,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl
2025-08-31T09:29:21,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl
2025-08-31T09:29:21,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:21,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts
2025-08-31T09:29:21,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots
2025-08-31T09:29:21,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots
2025-08-31T09:29:21,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn
2025-08-31T09:29:21,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn
2025-08-31T09:29:21,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11
2025-08-31T09:29:21,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11
2025-08-31T09:29:21,759   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21
2025-08-31T09:29:21,760   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21
2025-08-31T09:29:21,763   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17
2025-08-31T09:29:21,764   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17
2025-08-31T09:29:21,766   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-
2025-08-31T09:29:21,767   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-
2025-08-31T09:29:21,770   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:21,772   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e
2025-08-31T09:29:21,774   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:21,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p
2025-08-31T09:29:21,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:21,779   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e
2025-08-31T09:29:21,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:21,783   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e
2025-08-31T09:29:21,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:21,787   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p
2025-08-31T09:29:21,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:21,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p
2025-08-31T09:29:21,793   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:21,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p
2025-08-31T09:29:21,797   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:21,798   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e
2025-08-31T09:29:21,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:21,802   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e
2025-08-31T09:29:21,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:21,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p
2025-08-31T09:29:21,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:21,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e
2025-08-31T09:29:21,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:21,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p
2025-08-31T09:29:21,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:21,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p
2025-08-31T09:29:21,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:21,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e
2025-08-31T09:29:21,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:21,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e
2025-08-31T09:29:21,826   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:21,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p
2025-08-31T09:29:21,830   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:21,831   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p
2025-08-31T09:29:21,834   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:21,835   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p
2025-08-31T09:29:21,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:21,839   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e
2025-08-31T09:29:21,841   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:21,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e
2025-08-31T09:29:21,845   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:21,846   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e
2025-08-31T09:29:21,849   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:21,850   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e
2025-08-31T09:29:21,853   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:21,854   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p
2025-08-31T09:29:21,856   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:21,858   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e
2025-08-31T09:29:21,860   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:21,862   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e
2025-08-31T09:29:21,864   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:21,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p
2025-08-31T09:29:21,868   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:21,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p
2025-08-31T09:29:21,872   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:21,873   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e
2025-08-31T09:29:21,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:21,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p
2025-08-31T09:29:21,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:21,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p
2025-08-31T09:29:21,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:21,885   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e
2025-08-31T09:29:21,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:21,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p
2025-08-31T09:29:21,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:21,893   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p
2025-08-31T09:29:21,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:21,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e
2025-08-31T09:29:21,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:21,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p
2025-08-31T09:29:21,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:21,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p
2025-08-31T09:29:21,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:21,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e
2025-08-31T09:29:21,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:21,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e
2025-08-31T09:29:21,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:21,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p
2025-08-31T09:29:21,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:21,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e
2025-08-31T09:29:21,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:21,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e
2025-08-31T09:29:21,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:21,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p
2025-08-31T09:29:21,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:21,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e
2025-08-31T09:29:21,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:21,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p
2025-08-31T09:29:21,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:21,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p
2025-08-31T09:29:21,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:21,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e
2025-08-31T09:29:21,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:21,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e
2025-08-31T09:29:21,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:21,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p
2025-08-31T09:29:21,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:21,956   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8
2025-08-31T09:29:21,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:21,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4
2025-08-31T09:29:21,962   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:21,963   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6
2025-08-31T09:29:21,966   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:21,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9
2025-08-31T09:29:21,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:21,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10
2025-08-31T09:29:21,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:21,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2
2025-08-31T09:29:21,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:21,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1
2025-08-31T09:29:21,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:21,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7
2025-08-31T09:29:21,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:21,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5
2025-08-31T09:29:21,989   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:21,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2
2025-08-31T09:29:21,993   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:21,994   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4
2025-08-31T09:29:21,996   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:21,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10
2025-08-31T09:29:22,000   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:22,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6
2025-08-31T09:29:22,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:22,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7
2025-08-31T09:29:22,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:22,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1
2025-08-31T09:29:22,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:22,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8
2025-08-31T09:29:22,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:22,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9
2025-08-31T09:29:22,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:22,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5
2025-08-31T09:29:22,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:22,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3
2025-08-31T09:29:22,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:22,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3
2025-08-31T09:29:22,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A
2025-08-31T09:29:22,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A
2025-08-31T09:29:22,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:22,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:29:22,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne
2025-08-31T09:29:22,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne
2025-08-31T09:29:22,041   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20
2025-08-31T09:29:22,042   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20
2025-08-31T09:29:22,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+
2025-08-31T09:29:22,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+
2025-08-31T09:29:22,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:22,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2
2025-08-31T09:29:22,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:22,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+
2025-08-31T09:29:22,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:22,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12
2025-08-31T09:29:22,058   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43
2025-08-31T09:29:22,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43
2025-08-31T09:29:22,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48
2025-08-31T09:29:22,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48
2025-08-31T09:29:22,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:22,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo
2025-08-31T09:29:22,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:22,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp
2025-08-31T09:29:22,073   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:22,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:29:22,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:22,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm
2025-08-31T09:29:22,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:22,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02
2025-08-31T09:29:22,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:22,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:29:22,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:22,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14
2025-08-31T09:29:22,091   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:22,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:29:22,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2
2025-08-31T09:29:22,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2
2025-08-31T09:29:22,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:22,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe
2025-08-31T09:29:22,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:22,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74
2025-08-31T09:29:22,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:22,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s
2025-08-31T09:29:22,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:22,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2
2025-08-31T09:29:22,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:22,115   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:29:22,117   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:22,118   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20
2025-08-31T09:29:22,121   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:22,122   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:29:22,124   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+
2025-08-31T09:29:22,126   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+
2025-08-31T09:29:22,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68
2025-08-31T09:29:22,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68
2025-08-31T09:29:22,132   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a
2025-08-31T09:29:22,133   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a
2025-08-31T09:29:22,136   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:22,137   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67
2025-08-31T09:29:22,139   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A
2025-08-31T09:29:22,141   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A
2025-08-31T09:29:22,143   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h
2025-08-31T09:29:22,145   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h
2025-08-31T09:29:22,147   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20
2025-08-31T09:29:22,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20
2025-08-31T09:29:22,151   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6
2025-08-31T09:29:22,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6
2025-08-31T09:29:22,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:22,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71
2025-08-31T09:29:22,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:22,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+
2025-08-31T09:29:22,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:22,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2
2025-08-31T09:29:22,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1
2025-08-31T09:29:22,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1
2025-08-31T09:29:22,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s
2025-08-31T09:29:22,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s
2025-08-31T09:29:22,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8
2025-08-31T09:29:22,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8
2025-08-31T09:29:22,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47
2025-08-31T09:29:22,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47
2025-08-31T09:29:22,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si
2025-08-31T09:29:22,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si
2025-08-31T09:29:22,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:22,184   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:29:22,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:22,188   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc
2025-08-31T09:29:22,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf
2025-08-31T09:29:22,192   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf
2025-08-31T09:29:22,194   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:22,196   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21
2025-08-31T09:29:22,198   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:22,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo
2025-08-31T09:29:22,202   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco
2025-08-31T09:29:22,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco
2025-08-31T09:29:22,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B
2025-08-31T09:29:22,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B
2025-08-31T09:29:22,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39
2025-08-31T09:29:22,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39
2025-08-31T09:29:22,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:22,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4
2025-08-31T09:29:22,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg
2025-08-31T09:29:22,218   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg
2025-08-31T09:29:22,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh
2025-08-31T09:29:22,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh
2025-08-31T09:29:22,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A
2025-08-31T09:29:22,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A
2025-08-31T09:29:22,228   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:22,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:29:22,232   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k
2025-08-31T09:29:22,233   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k
2025-08-31T09:29:22,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34
2025-08-31T09:29:22,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34
2025-08-31T09:29:22,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o
2025-08-31T09:29:22,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o
2025-08-31T09:29:22,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:22,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:29:22,247   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59
2025-08-31T09:29:22,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59
2025-08-31T09:29:22,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf
2025-08-31T09:29:22,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf
2025-08-31T09:29:22,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:22,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4
2025-08-31T09:29:22,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b
2025-08-31T09:29:22,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b
2025-08-31T09:29:22,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:22,264   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3
2025-08-31T09:29:22,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:22,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78
2025-08-31T09:29:22,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:22,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3
2025-08-31T09:29:22,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:22,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:29:22,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:22,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4
2025-08-31T09:29:22,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:22,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:29:22,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:22,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p
2025-08-31T09:29:22,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be
2025-08-31T09:29:22,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be
2025-08-31T09:29:22,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:22,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:29:22,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:22,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10
2025-08-31T09:29:22,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B
2025-08-31T09:29:22,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B
2025-08-31T09:29:22,308   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao
2025-08-31T09:29:22,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao
2025-08-31T09:29:22,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A
2025-08-31T09:29:22,313   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A
2025-08-31T09:29:22,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:22,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4
2025-08-31T09:29:22,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:22,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:29:22,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B
2025-08-31T09:29:22,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B
2025-08-31T09:29:22,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic
2025-08-31T09:29:22,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic
2025-08-31T09:29:22,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:29:22,331   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
2025-08-31T09:29:22,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:22,334   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p
2025-08-31T09:29:22,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2
2025-08-31T09:29:22,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2
2025-08-31T09:29:22,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c
2025-08-31T09:29:22,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c
2025-08-31T09:29:22,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:22,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:29:22,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24
2025-08-31T09:29:22,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24
2025-08-31T09:29:22,351   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B
2025-08-31T09:29:22,352   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B
2025-08-31T09:29:22,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:22,356   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:29:22,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b
2025-08-31T09:29:22,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b
2025-08-31T09:29:22,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25
2025-08-31T09:29:22,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25
2025-08-31T09:29:22,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:22,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76
2025-08-31T09:29:22,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:22,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:29:22,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1
2025-08-31T09:29:22,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1
2025-08-31T09:29:22,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:22,378   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs
2025-08-31T09:29:22,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:22,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr
2025-08-31T09:29:22,384   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:22,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2
2025-08-31T09:29:22,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl
2025-08-31T09:29:22,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl
2025-08-31T09:29:22,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:22,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3
2025-08-31T09:29:22,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f
2025-08-31T09:29:22,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f
2025-08-31T09:29:22,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf
2025-08-31T09:29:22,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf
2025-08-31T09:29:22,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B
2025-08-31T09:29:22,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B
2025-08-31T09:29:22,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:22,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3
2025-08-31T09:29:22,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:22,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64
2025-08-31T09:29:22,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20
2025-08-31T09:29:22,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20
2025-08-31T09:29:22,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:22,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80
2025-08-31T09:29:22,421   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:22,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH
2025-08-31T09:29:22,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh
2025-08-31T09:29:22,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh
2025-08-31T09:29:22,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:22,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2
2025-08-31T09:29:22,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:22,440   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S
2025-08-31T09:29:22,443   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73
2025-08-31T09:29:22,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73
2025-08-31T09:29:22,447   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5
2025-08-31T09:29:22,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5
2025-08-31T09:29:22,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:22,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2
2025-08-31T09:29:22,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:22,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1
2025-08-31T09:29:22,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:22,461   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl
2025-08-31T09:29:22,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:22,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s
2025-08-31T09:29:22,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A
2025-08-31T09:29:22,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A
2025-08-31T09:29:22,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:22,475   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25
2025-08-31T09:29:22,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:22,480   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:29:22,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:22,484   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:29:22,487   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:22,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:29:22,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:29:22,494   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
2025-08-31T09:29:22,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A
2025-08-31T09:29:22,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A
2025-08-31T09:29:22,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+
2025-08-31T09:29:22,503   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+
2025-08-31T09:29:22,505   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:22,507   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts
2025-08-31T09:29:22,510   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:22,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2
2025-08-31T09:29:22,514   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:22,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn
2025-08-31T09:29:22,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:22,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2
2025-08-31T09:29:22,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca
2025-08-31T09:29:22,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca
2025-08-31T09:29:22,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13
2025-08-31T09:29:22,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13
2025-08-31T09:29:22,533   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:22,535   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:29:22,537   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2
2025-08-31T09:29:22,539   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2
2025-08-31T09:29:22,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:22,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1
2025-08-31T09:29:22,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:22,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr
2025-08-31T09:29:22,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:29:22,553   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
2025-08-31T09:29:22,556   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+
2025-08-31T09:29:22,558   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+
2025-08-31T09:29:22,560   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:22,562   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:29:22,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45
2025-08-31T09:29:22,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45
2025-08-31T09:29:22,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al
2025-08-31T09:29:22,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al
2025-08-31T09:29:22,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18
2025-08-31T09:29:22,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18
2025-08-31T09:29:22,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:22,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:29:22,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:22,585   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3
2025-08-31T09:29:22,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58
2025-08-31T09:29:22,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58
2025-08-31T09:29:22,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:22,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s
2025-08-31T09:29:22,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:22,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:29:22,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:22,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:29:22,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B
2025-08-31T09:29:22,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B
2025-08-31T09:29:22,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr
2025-08-31T09:29:22,614   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr
2025-08-31T09:29:22,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A
2025-08-31T09:29:22,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A
2025-08-31T09:29:22,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B
2025-08-31T09:29:22,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B
2025-08-31T09:29:22,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40
2025-08-31T09:29:22,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40
2025-08-31T09:29:22,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:22,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:29:22,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:22,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2
2025-08-31T09:29:22,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:22,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2
2025-08-31T09:29:22,644   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A
2025-08-31T09:29:22,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A
2025-08-31T09:29:22,648   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh
2025-08-31T09:29:22,650   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh
2025-08-31T09:29:22,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:22,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts
2025-08-31T09:29:22,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:22,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f
2025-08-31T09:29:22,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:22,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O
2025-08-31T09:29:22,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:22,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2
2025-08-31T09:29:22,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:22,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH
2025-08-31T09:29:22,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:22,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl
2025-08-31T09:29:22,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:22,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots
2025-08-31T09:29:22,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:22,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn
2025-08-31T09:29:22,689   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:22,691   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2
2025-08-31T09:29:22,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:22,695   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3
2025-08-31T09:29:22,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar
2025-08-31T09:29:22,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar
2025-08-31T09:29:22,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4
2025-08-31T09:29:22,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4
2025-08-31T09:29:22,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:22,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17
2025-08-31T09:29:22,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he
2025-08-31T09:29:22,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he
2025-08-31T09:29:22,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:22,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:29:22,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:22,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:29:22,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:22,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:29:22,729   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:22,730   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:29:22,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:22,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:29:22,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:22,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2
2025-08-31T09:29:22,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:22,744   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:29:22,747   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:22,748   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:29:22,751   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:22,753   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:29:22,755   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:22,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:29:22,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:22,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:29:22,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:22,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:29:22,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:22,771   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:29:22,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:22,775   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:29:22,778   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:22,780   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:29:22,782   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:22,784   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:29:22,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:22,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:29:22,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:22,793   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:29:22,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:22,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:29:22,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:22,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:29:22,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:22,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:29:22,807   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:22,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:29:22,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:22,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:29:22,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:22,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:29:22,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:22,820   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:29:22,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:22,824   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:29:22,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:22,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1
2025-08-31T09:29:22,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:22,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:29:22,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:22,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene
2025-08-31T09:29:22,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene
2025-08-31T09:29:22,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene
2025-08-31T09:29:22,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine
2025-08-31T09:29:22,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine
2025-08-31T09:29:22,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1
2025-08-31T09:29:22,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1
2025-08-31T09:29:22,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X
2025-08-31T09:29:22,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X
2025-08-31T09:29:22,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5
2025-08-31T09:29:22,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5
2025-08-31T09:29:22,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3
2025-08-31T09:29:22,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3
2025-08-31T09:29:22,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6
2025-08-31T09:29:22,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6
2025-08-31T09:29:22,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane
2025-08-31T09:29:22,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane
2025-08-31T09:29:22,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4
2025-08-31T09:29:22,871   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4
2025-08-31T09:29:22,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8
2025-08-31T09:29:22,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8
2025-08-31T09:29:22,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X
2025-08-31T09:29:22,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X
2025-08-31T09:29:22,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2
2025-08-31T09:29:22,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2
2025-08-31T09:29:22,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X
2025-08-31T09:29:22,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X
2025-08-31T09:29:22,888   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:22,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH
2025-08-31T09:29:22,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene
2025-08-31T09:29:22,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene
2025-08-31T09:29:22,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X
2025-08-31T09:29:22,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X
2025-08-31T09:29:22,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9
2025-08-31T09:29:22,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9
2025-08-31T09:29:22,904   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7
2025-08-31T09:29:22,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7
2025-08-31T09:29:22,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein
2025-08-31T09:29:22,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein
2025-08-31T09:29:22,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10
2025-08-31T09:29:22,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10
2025-08-31T09:29:22,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene
2025-08-31T09:29:22,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene
2025-08-31T09:29:22,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:22,922   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:29:22,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:22,926   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:29:22,928   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:22,930   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:29:22,932   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:22,934   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br
2025-08-31T09:29:22,936   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:22,937   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:29:22,940   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:22,941   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:29:22,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:22,945   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:29:22,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:22,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:29:22,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:22,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:29:22,955   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:22,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:29:22,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:22,960   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:29:22,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:22,964   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:29:22,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:22,968   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:29:22,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:22,972   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:29:22,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:22,976   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:29:22,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:22,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:29:22,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:22,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:29:22,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:22,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:29:22,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:22,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:29:22,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:22,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:29:22,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:22,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:29:23,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:23,002   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:29:23,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6
2025-08-31T09:29:23,007   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6
2025-08-31T09:29:23,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8
2025-08-31T09:29:23,011   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8
2025-08-31T09:29:23,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9
2025-08-31T09:29:23,015   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9
2025-08-31T09:29:23,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2
2025-08-31T09:29:23,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2
2025-08-31T09:29:23,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1
2025-08-31T09:29:23,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1
2025-08-31T09:29:23,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10
2025-08-31T09:29:23,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10
2025-08-31T09:29:23,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5
2025-08-31T09:29:23,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5
2025-08-31T09:29:23,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7
2025-08-31T09:29:23,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7
2025-08-31T09:29:23,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3
2025-08-31T09:29:23,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3
2025-08-31T09:29:23,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4
2025-08-31T09:29:23,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4
2025-08-31T09:29:23,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04
2025-08-31T09:29:23,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04
2025-08-31T09:29:23,050   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11
2025-08-31T09:29:23,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11
2025-08-31T09:29:23,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b
2025-08-31T09:29:23,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b
2025-08-31T09:29:23,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a
2025-08-31T09:29:23,058   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a
2025-08-31T09:29:23,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15
2025-08-31T09:29:23,062   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15
2025-08-31T09:29:23,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09
2025-08-31T09:29:23,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09
2025-08-31T09:29:23,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20
2025-08-31T09:29:23,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20
2025-08-31T09:29:23,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b
2025-08-31T09:29:23,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b
2025-08-31T09:29:23,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01
2025-08-31T09:29:23,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01
2025-08-31T09:29:23,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b
2025-08-31T09:29:23,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b
2025-08-31T09:29:23,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a
2025-08-31T09:29:23,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a
2025-08-31T09:29:23,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06
2025-08-31T09:29:23,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06
2025-08-31T09:29:23,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a
2025-08-31T09:29:23,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a
2025-08-31T09:29:23,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a
2025-08-31T09:29:23,097   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a
2025-08-31T09:29:23,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14
2025-08-31T09:29:23,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14
2025-08-31T09:29:23,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b
2025-08-31T09:29:23,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b
2025-08-31T09:29:23,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22
2025-08-31T09:29:23,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22
2025-08-31T09:29:23,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b
2025-08-31T09:29:23,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b
2025-08-31T09:29:23,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a
2025-08-31T09:29:23,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a
2025-08-31T09:29:23,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b
2025-08-31T09:29:23,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b
2025-08-31T09:29:23,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a
2025-08-31T09:29:23,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a
2025-08-31T09:29:23,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07
2025-08-31T09:29:23,127   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07
2025-08-31T09:29:23,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a
2025-08-31T09:29:23,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a
2025-08-31T09:29:23,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a
2025-08-31T09:29:23,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a
2025-08-31T09:29:23,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19
2025-08-31T09:29:23,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19
2025-08-31T09:29:23,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b
2025-08-31T09:29:23,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b
2025-08-31T09:29:23,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16
2025-08-31T09:29:23,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16
2025-08-31T09:29:23,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b
2025-08-31T09:29:23,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b
2025-08-31T09:29:23,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a
2025-08-31T09:29:23,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a
2025-08-31T09:29:23,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b
2025-08-31T09:29:23,159   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b
2025-08-31T09:29:23,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03
2025-08-31T09:29:23,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03
2025-08-31T09:29:23,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05
2025-08-31T09:29:23,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05
2025-08-31T09:29:23,170   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a
2025-08-31T09:29:23,171   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a
2025-08-31T09:29:23,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08
2025-08-31T09:29:23,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08
2025-08-31T09:29:23,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a
2025-08-31T09:29:23,179   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a
2025-08-31T09:29:23,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a
2025-08-31T09:29:23,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a
2025-08-31T09:29:23,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b
2025-08-31T09:29:23,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b
2025-08-31T09:29:23,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10
2025-08-31T09:29:23,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10
2025-08-31T09:29:23,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a
2025-08-31T09:29:23,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a
2025-08-31T09:29:23,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a
2025-08-31T09:29:23,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a
2025-08-31T09:29:23,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a
2025-08-31T09:29:23,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a
2025-08-31T09:29:23,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b
2025-08-31T09:29:23,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b
2025-08-31T09:29:23,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a
2025-08-31T09:29:23,210   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a
2025-08-31T09:29:23,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12
2025-08-31T09:29:23,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12
2025-08-31T09:29:23,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a
2025-08-31T09:29:23,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a
2025-08-31T09:29:23,222   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02
2025-08-31T09:29:23,223   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02
2025-08-31T09:29:23,226   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a
2025-08-31T09:29:23,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a
2025-08-31T09:29:23,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13
2025-08-31T09:29:23,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13
2025-08-31T09:29:23,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b
2025-08-31T09:29:23,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b
2025-08-31T09:29:23,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18
2025-08-31T09:29:23,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18
2025-08-31T09:29:23,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a
2025-08-31T09:29:23,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a
2025-08-31T09:29:23,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a
2025-08-31T09:29:23,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a
2025-08-31T09:29:23,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a
2025-08-31T09:29:23,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a
2025-08-31T09:29:23,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21
2025-08-31T09:29:23,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21
2025-08-31T09:29:23,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b
2025-08-31T09:29:23,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b
2025-08-31T09:29:23,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17
2025-08-31T09:29:23,267   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17
2025-08-31T09:29:23,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a
2025-08-31T09:29:23,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a
2025-08-31T09:29:23,275   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9
2025-08-31T09:29:23,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9
2025-08-31T09:29:23,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4
2025-08-31T09:29:23,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4
2025-08-31T09:29:23,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9
2025-08-31T09:29:23,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9
2025-08-31T09:29:23,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13
2025-08-31T09:29:23,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13
2025-08-31T09:29:23,293   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5
2025-08-31T09:29:23,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5
2025-08-31T09:29:23,297   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4
2025-08-31T09:29:23,299   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4
2025-08-31T09:29:23,301   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7
2025-08-31T09:29:23,302   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7
2025-08-31T09:29:23,305   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8
2025-08-31T09:29:23,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8
2025-08-31T09:29:23,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5
2025-08-31T09:29:23,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5
2025-08-31T09:29:23,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5
2025-08-31T09:29:23,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5
2025-08-31T09:29:23,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11
2025-08-31T09:29:23,318   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11
2025-08-31T09:29:23,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10
2025-08-31T09:29:23,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10
2025-08-31T09:29:23,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15
2025-08-31T09:29:23,325   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15
2025-08-31T09:29:23,328   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1
2025-08-31T09:29:23,329   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1
2025-08-31T09:29:23,332   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14
2025-08-31T09:29:23,333   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14
2025-08-31T09:29:23,336   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4
2025-08-31T09:29:23,337   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4
2025-08-31T09:29:23,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16
2025-08-31T09:29:23,341   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16
2025-08-31T09:29:23,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13
2025-08-31T09:29:23,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13
2025-08-31T09:29:23,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6
2025-08-31T09:29:23,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6
2025-08-31T09:29:23,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3
2025-08-31T09:29:23,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3
2025-08-31T09:29:23,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2
2025-08-31T09:29:23,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2
2025-08-31T09:29:23,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6
2025-08-31T09:29:23,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6
2025-08-31T09:29:23,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12
2025-08-31T09:29:23,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12
2025-08-31T09:29:23,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11
2025-08-31T09:29:23,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11
2025-08-31T09:29:23,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1
2025-08-31T09:29:23,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1
2025-08-31T09:29:23,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3
2025-08-31T09:29:23,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3
2025-08-31T09:29:23,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3
2025-08-31T09:29:23,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3
2025-08-31T09:29:23,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2
2025-08-31T09:29:23,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2
2025-08-31T09:29:23,386   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10
2025-08-31T09:29:23,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10
2025-08-31T09:29:23,390   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:23,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6
2025-08-31T09:29:23,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12
2025-08-31T09:29:23,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12
2025-08-31T09:29:23,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15
2025-08-31T09:29:23,399   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15
2025-08-31T09:29:23,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7
2025-08-31T09:29:23,403   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7
2025-08-31T09:29:23,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14
2025-08-31T09:29:23,407   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14
2025-08-31T09:29:23,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8
2025-08-31T09:29:23,411   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8
2025-08-31T09:29:23,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1
2025-08-31T09:29:23,414   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1
2025-08-31T09:29:23,416   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4
2025-08-31T09:29:23,418   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4
2025-08-31T09:29:23,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2
2025-08-31T09:29:23,422   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2
2025-08-31T09:29:23,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04
2025-08-31T09:29:23,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04
2025-08-31T09:29:23,428   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A
2025-08-31T09:29:23,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A
2025-08-31T09:29:23,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B
2025-08-31T09:29:23,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B
2025-08-31T09:29:23,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B
2025-08-31T09:29:23,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B
2025-08-31T09:29:23,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23
2025-08-31T09:29:23,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23
2025-08-31T09:29:23,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A
2025-08-31T09:29:23,445   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A
2025-08-31T09:29:23,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A
2025-08-31T09:29:23,449   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A
2025-08-31T09:29:23,451   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B
2025-08-31T09:29:23,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B
2025-08-31T09:29:23,455   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B
2025-08-31T09:29:23,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B
2025-08-31T09:29:23,459   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B
2025-08-31T09:29:23,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B
2025-08-31T09:29:23,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A
2025-08-31T09:29:23,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A
2025-08-31T09:29:23,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43
2025-08-31T09:29:23,468   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43
2025-08-31T09:29:23,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48
2025-08-31T09:29:23,472   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48
2025-08-31T09:29:23,474   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A
2025-08-31T09:29:23,476   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A
2025-08-31T09:29:23,478   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11
2025-08-31T09:29:23,479   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11
2025-08-31T09:29:23,482   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B
2025-08-31T09:29:23,483   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B
2025-08-31T09:29:23,486   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B
2025-08-31T09:29:23,487   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B
2025-08-31T09:29:23,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A
2025-08-31T09:29:23,491   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A
2025-08-31T09:29:23,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A
2025-08-31T09:29:23,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A
2025-08-31T09:29:23,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A
2025-08-31T09:29:23,498   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A
2025-08-31T09:29:23,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B
2025-08-31T09:29:23,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B
2025-08-31T09:29:23,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A
2025-08-31T09:29:23,506   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A
2025-08-31T09:29:23,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A
2025-08-31T09:29:23,510   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A
2025-08-31T09:29:23,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A
2025-08-31T09:29:23,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A
2025-08-31T09:29:23,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B
2025-08-31T09:29:23,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B
2025-08-31T09:29:23,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31
2025-08-31T09:29:23,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31
2025-08-31T09:29:23,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A
2025-08-31T09:29:23,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A
2025-08-31T09:29:23,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B
2025-08-31T09:29:23,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B
2025-08-31T09:29:23,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A
2025-08-31T09:29:23,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A
2025-08-31T09:29:23,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B
2025-08-31T09:29:23,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B
2025-08-31T09:29:23,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A
2025-08-31T09:29:23,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A
2025-08-31T09:29:23,542   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15
2025-08-31T09:29:23,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15
2025-08-31T09:29:23,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B
2025-08-31T09:29:23,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B
2025-08-31T09:29:23,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09
2025-08-31T09:29:23,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09
2025-08-31T09:29:23,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B
2025-08-31T09:29:23,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B
2025-08-31T09:29:23,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56
2025-08-31T09:29:23,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56
2025-08-31T09:29:23,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B
2025-08-31T09:29:23,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B
2025-08-31T09:29:23,565   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55
2025-08-31T09:29:23,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55
2025-08-31T09:29:23,569   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20
2025-08-31T09:29:23,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20
2025-08-31T09:29:23,573   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A
2025-08-31T09:29:23,574   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A
2025-08-31T09:29:23,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A
2025-08-31T09:29:23,578   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A
2025-08-31T09:29:23,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B
2025-08-31T09:29:23,582   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B
2025-08-31T09:29:23,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A
2025-08-31T09:29:23,586   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A
2025-08-31T09:29:23,588   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A
2025-08-31T09:29:23,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A
2025-08-31T09:29:23,592   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A
2025-08-31T09:29:23,593   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A
2025-08-31T09:29:23,596   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36
2025-08-31T09:29:23,597   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36
2025-08-31T09:29:23,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A
2025-08-31T09:29:23,601   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A
2025-08-31T09:29:23,603   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01
2025-08-31T09:29:23,605   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01
2025-08-31T09:29:23,607   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B
2025-08-31T09:29:23,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B
2025-08-31T09:29:23,611   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47
2025-08-31T09:29:23,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47
2025-08-31T09:29:23,615   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A
2025-08-31T09:29:23,616   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A
2025-08-31T09:29:23,619   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B
2025-08-31T09:29:23,620   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B
2025-08-31T09:29:23,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64
2025-08-31T09:29:23,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64
2025-08-31T09:29:23,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06
2025-08-31T09:29:23,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06
2025-08-31T09:29:23,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B
2025-08-31T09:29:23,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B
2025-08-31T09:29:23,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32
2025-08-31T09:29:23,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32
2025-08-31T09:29:23,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B
2025-08-31T09:29:23,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B
2025-08-31T09:29:23,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B
2025-08-31T09:29:23,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B
2025-08-31T09:29:23,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39
2025-08-31T09:29:23,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39
2025-08-31T09:29:23,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A
2025-08-31T09:29:23,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A
2025-08-31T09:29:23,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A
2025-08-31T09:29:23,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A
2025-08-31T09:29:23,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A
2025-08-31T09:29:23,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A
2025-08-31T09:29:23,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B
2025-08-31T09:29:23,662   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B
2025-08-31T09:29:23,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B
2025-08-31T09:29:23,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B
2025-08-31T09:29:23,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B
2025-08-31T09:29:23,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B
2025-08-31T09:29:23,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14
2025-08-31T09:29:23,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14
2025-08-31T09:29:23,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A
2025-08-31T09:29:23,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A
2025-08-31T09:29:23,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A
2025-08-31T09:29:23,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A
2025-08-31T09:29:23,684   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A
2025-08-31T09:29:23,685   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A
2025-08-31T09:29:23,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34
2025-08-31T09:29:23,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34
2025-08-31T09:29:23,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A
2025-08-31T09:29:23,694   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A
2025-08-31T09:29:23,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38
2025-08-31T09:29:23,698   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38
2025-08-31T09:29:23,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B
2025-08-31T09:29:23,702   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B
2025-08-31T09:29:23,704   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22
2025-08-31T09:29:23,706   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22
2025-08-31T09:29:23,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B
2025-08-31T09:29:23,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B
2025-08-31T09:29:23,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B
2025-08-31T09:29:23,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B
2025-08-31T09:29:23,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59
2025-08-31T09:29:23,717   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59
2025-08-31T09:29:23,720   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B
2025-08-31T09:29:23,721   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B
2025-08-31T09:29:23,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B
2025-08-31T09:29:23,725   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B
2025-08-31T09:29:23,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B
2025-08-31T09:29:23,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B
2025-08-31T09:29:23,731   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51
2025-08-31T09:29:23,733   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51
2025-08-31T09:29:23,735   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A
2025-08-31T09:29:23,737   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A
2025-08-31T09:29:23,739   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B
2025-08-31T09:29:23,741   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B
2025-08-31T09:29:23,744   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60
2025-08-31T09:29:23,745   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60
2025-08-31T09:29:23,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B
2025-08-31T09:29:23,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B
2025-08-31T09:29:23,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B
2025-08-31T09:29:23,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B
2025-08-31T09:29:23,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A
2025-08-31T09:29:23,757   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A
2025-08-31T09:29:23,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B
2025-08-31T09:29:23,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B
2025-08-31T09:29:23,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A
2025-08-31T09:29:23,765   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A
2025-08-31T09:29:23,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07
2025-08-31T09:29:23,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07
2025-08-31T09:29:23,771   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A
2025-08-31T09:29:23,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A
2025-08-31T09:29:23,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A
2025-08-31T09:29:23,776   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A
2025-08-31T09:29:23,779   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29
2025-08-31T09:29:23,780   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29
2025-08-31T09:29:23,783   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B
2025-08-31T09:29:23,784   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B
2025-08-31T09:29:23,786   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B
2025-08-31T09:29:23,788   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B
2025-08-31T09:29:23,790   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A
2025-08-31T09:29:23,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A
2025-08-31T09:29:23,794   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A
2025-08-31T09:29:23,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A
2025-08-31T09:29:23,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B
2025-08-31T09:29:23,799   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B
2025-08-31T09:29:23,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A
2025-08-31T09:29:23,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A
2025-08-31T09:29:23,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A
2025-08-31T09:29:23,808   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A
2025-08-31T09:29:23,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B
2025-08-31T09:29:23,812   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B
2025-08-31T09:29:23,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B
2025-08-31T09:29:23,816   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B
2025-08-31T09:29:23,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B
2025-08-31T09:29:23,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B
2025-08-31T09:29:23,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A
2025-08-31T09:29:23,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A
2025-08-31T09:29:23,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B
2025-08-31T09:29:23,828   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B
2025-08-31T09:29:23,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19
2025-08-31T09:29:23,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19
2025-08-31T09:29:23,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A
2025-08-31T09:29:23,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A
2025-08-31T09:29:23,838   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A
2025-08-31T09:29:23,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A
2025-08-31T09:29:23,842   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A
2025-08-31T09:29:23,843   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A
2025-08-31T09:29:23,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B
2025-08-31T09:29:23,847   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B
2025-08-31T09:29:23,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B
2025-08-31T09:29:23,851   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B
2025-08-31T09:29:23,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24
2025-08-31T09:29:23,855   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24
2025-08-31T09:29:23,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A
2025-08-31T09:29:23,859   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A
2025-08-31T09:29:23,861   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54
2025-08-31T09:29:23,863   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54
2025-08-31T09:29:23,865   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33
2025-08-31T09:29:23,867   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33
2025-08-31T09:29:23,869   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25
2025-08-31T09:29:23,870   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25
2025-08-31T09:29:23,873   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28
2025-08-31T09:29:23,874   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28
2025-08-31T09:29:23,877   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35
2025-08-31T09:29:23,878   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35
2025-08-31T09:29:23,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B
2025-08-31T09:29:23,882   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B
2025-08-31T09:29:23,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50
2025-08-31T09:29:23,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50
2025-08-31T09:29:23,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16
2025-08-31T09:29:23,890   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16
2025-08-31T09:29:23,892   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26
2025-08-31T09:29:23,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26
2025-08-31T09:29:23,896   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A
2025-08-31T09:29:23,897   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A
2025-08-31T09:29:23,900   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A
2025-08-31T09:29:23,901   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A
2025-08-31T09:29:23,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A
2025-08-31T09:29:23,905   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A
2025-08-31T09:29:23,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A
2025-08-31T09:29:23,909   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A
2025-08-31T09:29:23,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B
2025-08-31T09:29:23,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B
2025-08-31T09:29:23,915   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03
2025-08-31T09:29:23,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03
2025-08-31T09:29:23,919   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A
2025-08-31T09:29:23,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A
2025-08-31T09:29:23,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B
2025-08-31T09:29:23,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B
2025-08-31T09:29:23,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05
2025-08-31T09:29:23,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05
2025-08-31T09:29:23,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52
2025-08-31T09:29:23,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52
2025-08-31T09:29:23,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66
2025-08-31T09:29:23,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66
2025-08-31T09:29:23,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08
2025-08-31T09:29:23,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08
2025-08-31T09:29:23,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B
2025-08-31T09:29:23,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B
2025-08-31T09:29:23,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B
2025-08-31T09:29:23,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B
2025-08-31T09:29:23,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A
2025-08-31T09:29:23,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A
2025-08-31T09:29:23,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B
2025-08-31T09:29:23,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B
2025-08-31T09:29:23,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A
2025-08-31T09:29:23,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A
2025-08-31T09:29:23,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B
2025-08-31T09:29:23,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B
2025-08-31T09:29:23,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A
2025-08-31T09:29:23,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A
2025-08-31T09:29:23,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10
2025-08-31T09:29:23,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10
2025-08-31T09:29:23,972   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65
2025-08-31T09:29:23,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65
2025-08-31T09:29:23,976   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B
2025-08-31T09:29:23,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B
2025-08-31T09:29:23,980   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A
2025-08-31T09:29:23,981   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A
2025-08-31T09:29:23,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B
2025-08-31T09:29:23,985   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B
2025-08-31T09:29:23,987   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A
2025-08-31T09:29:23,989   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A
2025-08-31T09:29:23,991   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B
2025-08-31T09:29:23,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B
2025-08-31T09:29:23,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B
2025-08-31T09:29:23,997   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B
2025-08-31T09:29:23,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41
2025-08-31T09:29:24,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41
2025-08-31T09:29:24,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B
2025-08-31T09:29:24,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B
2025-08-31T09:29:24,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37
2025-08-31T09:29:24,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37
2025-08-31T09:29:24,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49
2025-08-31T09:29:24,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49
2025-08-31T09:29:24,015   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12
2025-08-31T09:29:24,016   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12
2025-08-31T09:29:24,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A
2025-08-31T09:29:24,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A
2025-08-31T09:29:24,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02
2025-08-31T09:29:24,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02
2025-08-31T09:29:24,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B
2025-08-31T09:29:24,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B
2025-08-31T09:29:24,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13
2025-08-31T09:29:24,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13
2025-08-31T09:29:24,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B
2025-08-31T09:29:24,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B
2025-08-31T09:29:24,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B
2025-08-31T09:29:24,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B
2025-08-31T09:29:24,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45
2025-08-31T09:29:24,043   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45
2025-08-31T09:29:24,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62
2025-08-31T09:29:24,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62
2025-08-31T09:29:24,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18
2025-08-31T09:29:24,051   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18
2025-08-31T09:29:24,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B
2025-08-31T09:29:24,055   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B
2025-08-31T09:29:24,057   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B
2025-08-31T09:29:24,059   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B
2025-08-31T09:29:24,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58
2025-08-31T09:29:24,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58
2025-08-31T09:29:24,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B
2025-08-31T09:29:24,066   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B
2025-08-31T09:29:24,069   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A
2025-08-31T09:29:24,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A
2025-08-31T09:29:24,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40
2025-08-31T09:29:24,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40
2025-08-31T09:29:24,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63
2025-08-31T09:29:24,077   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63
2025-08-31T09:29:24,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61
2025-08-31T09:29:24,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61
2025-08-31T09:29:24,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A
2025-08-31T09:29:24,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A
2025-08-31T09:29:24,087   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B
2025-08-31T09:29:24,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B
2025-08-31T09:29:24,091   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A
2025-08-31T09:29:24,093   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A
2025-08-31T09:29:24,095   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B
2025-08-31T09:29:24,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B
2025-08-31T09:29:24,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A
2025-08-31T09:29:24,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A
2025-08-31T09:29:24,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30
2025-08-31T09:29:24,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30
2025-08-31T09:29:24,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21
2025-08-31T09:29:24,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21
2025-08-31T09:29:24,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B
2025-08-31T09:29:24,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B
2025-08-31T09:29:24,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A
2025-08-31T09:29:24,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A
2025-08-31T09:29:24,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A
2025-08-31T09:29:24,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A
2025-08-31T09:29:24,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27
2025-08-31T09:29:24,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27
2025-08-31T09:29:24,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53
2025-08-31T09:29:24,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53
2025-08-31T09:29:24,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44
2025-08-31T09:29:24,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44
2025-08-31T09:29:24,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A
2025-08-31T09:29:24,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A
2025-08-31T09:29:24,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42
2025-08-31T09:29:24,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42
2025-08-31T09:29:24,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46
2025-08-31T09:29:24,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46
2025-08-31T09:29:24,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A
2025-08-31T09:29:24,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A
2025-08-31T09:29:24,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B
2025-08-31T09:29:24,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B
2025-08-31T09:29:24,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A
2025-08-31T09:29:24,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A
2025-08-31T09:29:24,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A
2025-08-31T09:29:24,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A
2025-08-31T09:29:24,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57
2025-08-31T09:29:24,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57
2025-08-31T09:29:24,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17
2025-08-31T09:29:24,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17
2025-08-31T09:29:24,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B
2025-08-31T09:29:24,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B
2025-08-31T09:29:24,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A
2025-08-31T09:29:24,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A
2025-08-31T09:29:24,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A
2025-08-31T09:29:24,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A
2025-08-31T09:29:24,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A
2025-08-31T09:29:24,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A
2025-08-31T09:29:24,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B
2025-08-31T09:29:24,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B
2025-08-31T09:29:24,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:29:24,190   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
2025-08-31T09:29:24,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5
2025-08-31T09:29:24,194   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5
2025-08-31T09:29:24,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3
2025-08-31T09:29:24,198   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3
2025-08-31T09:29:24,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:29:24,201   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
2025-08-31T09:29:24,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:29:24,205   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
2025-08-31T09:29:24,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:29:24,209   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
2025-08-31T09:29:24,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf
2025-08-31T09:29:24,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf
2025-08-31T09:29:24,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6
2025-08-31T09:29:24,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6
2025-08-31T09:29:24,220   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:24,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6
2025-08-31T09:29:24,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:29:24,225   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
2025-08-31T09:29:24,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:24,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3
2025-08-31T09:29:24,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:24,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2
2025-08-31T09:29:24,235   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:24,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5
2025-08-31T09:29:24,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:29:24,240   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
2025-08-31T09:29:24,243   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:29:24,244   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
2025-08-31T09:29:24,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:29:24,248   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
2025-08-31T09:29:24,251   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4
2025-08-31T09:29:24,252   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4
2025-08-31T09:29:24,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:24,256   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3
2025-08-31T09:29:24,258   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o
2025-08-31T09:29:24,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o
2025-08-31T09:29:24,262   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:29:24,263   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
2025-08-31T09:29:24,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:29:24,268   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
2025-08-31T09:29:24,270   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:29:24,272   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
2025-08-31T09:29:24,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:24,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2
2025-08-31T09:29:24,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:24,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4
2025-08-31T09:29:24,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2
2025-08-31T09:29:24,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2
2025-08-31T09:29:24,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:29:24,290   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
2025-08-31T09:29:24,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:29:24,294   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
2025-08-31T09:29:24,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:24,298   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4
2025-08-31T09:29:24,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3
2025-08-31T09:29:24,302   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3
2025-08-31T09:29:24,304   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+
2025-08-31T09:29:24,306   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+
2025-08-31T09:29:24,309   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:24,310   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68
2025-08-31T09:29:24,312   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+
2025-08-31T09:29:24,314   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+
2025-08-31T09:29:24,316   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43
2025-08-31T09:29:24,317   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43
2025-08-31T09:29:24,320   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48
2025-08-31T09:29:24,322   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48
2025-08-31T09:29:24,324   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11
2025-08-31T09:29:24,326   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11
2025-08-31T09:29:24,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:24,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62
2025-08-31T09:29:24,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n
2025-08-31T09:29:24,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n
2025-08-31T09:29:24,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li
2025-08-31T09:29:24,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li
2025-08-31T09:29:24,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:24,343   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74
2025-08-31T09:29:24,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+
2025-08-31T09:29:24,347   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+
2025-08-31T09:29:24,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:24,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67
2025-08-31T09:29:24,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h
2025-08-31T09:29:24,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h
2025-08-31T09:29:24,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20
2025-08-31T09:29:24,359   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20
2025-08-31T09:29:24,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:24,363   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71
2025-08-31T09:29:24,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s
2025-08-31T09:29:24,367   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s
2025-08-31T09:29:24,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8
2025-08-31T09:29:24,372   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8
2025-08-31T09:29:24,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si
2025-08-31T09:29:24,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si
2025-08-31T09:29:24,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na
2025-08-31T09:29:24,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na
2025-08-31T09:29:24,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg
2025-08-31T09:29:24,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg
2025-08-31T09:29:24,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+
2025-08-31T09:29:24,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+
2025-08-31T09:29:24,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:24,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60
2025-08-31T09:29:24,395   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14
2025-08-31T09:29:24,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14
2025-08-31T09:29:24,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:24,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73
2025-08-31T09:29:24,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34
2025-08-31T09:29:24,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34
2025-08-31T09:29:24,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o
2025-08-31T09:29:24,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o
2025-08-31T09:29:24,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22
2025-08-31T09:29:24,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22
2025-08-31T09:29:24,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:24,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59
2025-08-31T09:29:24,420   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+
2025-08-31T09:29:24,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+
2025-08-31T09:29:24,424   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51
2025-08-31T09:29:24,425   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51
2025-08-31T09:29:24,427   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:24,429   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78
2025-08-31T09:29:24,432   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:24,433   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75
2025-08-31T09:29:24,436   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+
2025-08-31T09:29:24,437   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+
2025-08-31T09:29:24,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be
2025-08-31T09:29:24,441   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be
2025-08-31T09:29:24,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+
2025-08-31T09:29:24,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+
2025-08-31T09:29:24,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:24,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65
2025-08-31T09:29:24,454   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p
2025-08-31T09:29:24,456   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p
2025-08-31T09:29:24,458   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:24,460   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66
2025-08-31T09:29:24,463   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c
2025-08-31T09:29:24,464   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c
2025-08-31T09:29:24,467   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19
2025-08-31T09:29:24,469   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19
2025-08-31T09:29:24,471   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b
2025-08-31T09:29:24,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b
2025-08-31T09:29:24,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25
2025-08-31T09:29:24,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25
2025-08-31T09:29:24,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+
2025-08-31T09:29:24,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+
2025-08-31T09:29:24,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:24,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76
2025-08-31T09:29:24,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26
2025-08-31T09:29:24,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26
2025-08-31T09:29:24,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl
2025-08-31T09:29:24,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl
2025-08-31T09:29:24,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f
2025-08-31T09:29:24,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f
2025-08-31T09:29:24,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:24,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64
2025-08-31T09:29:24,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+
2025-08-31T09:29:24,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+
2025-08-31T09:29:24,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:24,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80
2025-08-31T09:29:24,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137
2025-08-31T09:29:24,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137
2025-08-31T09:29:24,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:24,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79
2025-08-31T09:29:24,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+
2025-08-31T09:29:24,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+
2025-08-31T09:29:24,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+
2025-08-31T09:29:24,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+
2025-08-31T09:29:24,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:24,528   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61
2025-08-31T09:29:24,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+
2025-08-31T09:29:24,532   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+
2025-08-31T09:29:24,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37
2025-08-31T09:29:24,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37
2025-08-31T09:29:24,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12
2025-08-31T09:29:24,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12
2025-08-31T09:29:24,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13
2025-08-31T09:29:24,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13
2025-08-31T09:29:24,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+
2025-08-31T09:29:24,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+
2025-08-31T09:29:24,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45
2025-08-31T09:29:24,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45
2025-08-31T09:29:24,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al
2025-08-31T09:29:24,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al
2025-08-31T09:29:24,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:24,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77
2025-08-31T09:29:24,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18
2025-08-31T09:29:24,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18
2025-08-31T09:29:24,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:24,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72
2025-08-31T09:29:24,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:24,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70
2025-08-31T09:29:24,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:24,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63
2025-08-31T09:29:24,578   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30
2025-08-31T09:29:24,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30
2025-08-31T09:29:24,582   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:24,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65
2025-08-31T09:29:24,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44
2025-08-31T09:29:24,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44
2025-08-31T09:29:24,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+
2025-08-31T09:29:24,591   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+
2025-08-31T09:29:24,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7
2025-08-31T09:29:24,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7
2025-08-31T09:29:24,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2
2025-08-31T09:29:24,600   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2
2025-08-31T09:29:24,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1
2025-08-31T09:29:24,604   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1
2025-08-31T09:29:24,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11
2025-08-31T09:29:24,608   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11
2025-08-31T09:29:24,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4
2025-08-31T09:29:24,612   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4
2025-08-31T09:29:24,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10
2025-08-31T09:29:24,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10
2025-08-31T09:29:24,618   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3
2025-08-31T09:29:24,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3
2025-08-31T09:29:24,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4
2025-08-31T09:29:24,623   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4
2025-08-31T09:29:24,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15
2025-08-31T09:29:24,627   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15
2025-08-31T09:29:24,629   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6
2025-08-31T09:29:24,631   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6
2025-08-31T09:29:24,633   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1
2025-08-31T09:29:24,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1
2025-08-31T09:29:24,637   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8
2025-08-31T09:29:24,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8
2025-08-31T09:29:24,641   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12
2025-08-31T09:29:24,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12
2025-08-31T09:29:24,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14
2025-08-31T09:29:24,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14
2025-08-31T09:29:24,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13
2025-08-31T09:29:24,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13
2025-08-31T09:29:24,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9
2025-08-31T09:29:24,656   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9
2025-08-31T09:29:24,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3
2025-08-31T09:29:24,660   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3
2025-08-31T09:29:24,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5
2025-08-31T09:29:24,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5
2025-08-31T09:29:24,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2
2025-08-31T09:29:24,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2
2025-08-31T09:29:24,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42
2025-08-31T09:29:24,673   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42
2025-08-31T09:29:24,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:24,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:29:24,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1
2025-08-31T09:29:24,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1
2025-08-31T09:29:24,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0
2025-08-31T09:29:24,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0
2025-08-31T09:29:24,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0
2025-08-31T09:29:24,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0
2025-08-31T09:29:24,691   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:24,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42
2025-08-31T09:29:24,695   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2
2025-08-31T09:29:24,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2
2025-08-31T09:29:24,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:24,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71
2025-08-31T09:29:24,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:24,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41
2025-08-31T09:29:24,707   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:24,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:29:24,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2
2025-08-31T09:29:24,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2
2025-08-31T09:29:24,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0
2025-08-31T09:29:24,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0
2025-08-31T09:29:24,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:24,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72
2025-08-31T09:29:24,723   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:24,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43
2025-08-31T09:29:24,727   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:24,728   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71
2025-08-31T09:29:24,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:24,732   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:29:24,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0
2025-08-31T09:29:24,736   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0
2025-08-31T09:29:24,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1
2025-08-31T09:29:24,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1
2025-08-31T09:29:24,742   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:24,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72
2025-08-31T09:29:24,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2
2025-08-31T09:29:24,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2
2025-08-31T09:29:24,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4
2025-08-31T09:29:24,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4
2025-08-31T09:29:24,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2
2025-08-31T09:29:24,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2
2025-08-31T09:29:24,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:24,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41
2025-08-31T09:29:24,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3
2025-08-31T09:29:24,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3
2025-08-31T09:29:24,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3
2025-08-31T09:29:24,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3
2025-08-31T09:29:24,769   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2
2025-08-31T09:29:24,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2
2025-08-31T09:29:24,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41
2025-08-31T09:29:24,774   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41
2025-08-31T09:29:24,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1
2025-08-31T09:29:24,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1
2025-08-31T09:29:24,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0
2025-08-31T09:29:24,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0
2025-08-31T09:29:24,784   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3
2025-08-31T09:29:24,786   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3
2025-08-31T09:29:24,788   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:24,789   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42
2025-08-31T09:29:24,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:24,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2
2025-08-31T09:29:24,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:24,797   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4
2025-08-31T09:29:24,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:24,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5
2025-08-31T09:29:24,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:24,805   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6
2025-08-31T09:29:24,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:24,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2
2025-08-31T09:29:24,811   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:24,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5
2025-08-31T09:29:24,815   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:24,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7
2025-08-31T09:29:24,819   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:24,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7
2025-08-31T09:29:24,823   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:24,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3
2025-08-31T09:29:24,827   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:24,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6
2025-08-31T09:29:24,831   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:24,832   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3
2025-08-31T09:29:24,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:24,836   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4
2025-08-31T09:29:24,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470
2025-08-31T09:29:24,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470
2025-08-31T09:29:24,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691
2025-08-31T09:29:24,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691
2025-08-31T09:29:24,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:24,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:29:24,850   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224
2025-08-31T09:29:24,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224
2025-08-31T09:29:24,854   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:24,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:29:24,858   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366
2025-08-31T09:29:24,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366
2025-08-31T09:29:24,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300
2025-08-31T09:29:24,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300
2025-08-31T09:29:24,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:24,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:29:24,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:24,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:29:24,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412
2025-08-31T09:29:24,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412
2025-08-31T09:29:24,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99
2025-08-31T09:29:24,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99
2025-08-31T09:29:24,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:24,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:29:24,886   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357
2025-08-31T09:29:24,887   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357
2025-08-31T09:29:24,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:24,891   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b
2025-08-31T09:29:24,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:24,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:29:24,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114
2025-08-31T09:29:24,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114
2025-08-31T09:29:24,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:24,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:29:24,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444
2025-08-31T09:29:24,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444
2025-08-31T09:29:24,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:24,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:29:24,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:24,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:29:24,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215
2025-08-31T09:29:24,920   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215
2025-08-31T09:29:24,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:24,924   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:29:24,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:24,928   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:29:24,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:24,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:29:24,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:24,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:29:24,938   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:24,939   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:29:24,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:24,943   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:29:24,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:24,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:29:24,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:24,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:29:24,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:24,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg
2025-08-31T09:29:24,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:24,958   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:29:24,960   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:24,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:29:24,964   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be
2025-08-31T09:29:24,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be
2025-08-31T09:29:24,968   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:24,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:29:24,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:24,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:29:24,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:24,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s
2025-08-31T09:29:24,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:24,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3
2025-08-31T09:29:24,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:24,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:29:24,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:24,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:29:24,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:24,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:29:24,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:24,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3
2025-08-31T09:29:24,998   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn
2025-08-31T09:29:25,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn
2025-08-31T09:29:25,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:25,004   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn
2025-08-31T09:29:25,007   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:25,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f
2025-08-31T09:29:25,011   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf
2025-08-31T09:29:25,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf
2025-08-31T09:29:25,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo
2025-08-31T09:29:25,016   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
2025-08-31T09:29:25,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:25,020   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2
2025-08-31T09:29:25,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3
2025-08-31T09:29:25,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3
2025-08-31T09:29:25,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn
2025-08-31T09:29:25,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn
2025-08-31T09:29:25,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf
2025-08-31T09:29:25,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf
2025-08-31T09:29:25,033   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2
2025-08-31T09:29:25,034   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2
2025-08-31T09:29:25,037   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo
2025-08-31T09:29:25,038   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo
2025-08-31T09:29:25,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:29:25,042   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
2025-08-31T09:29:25,044   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf
2025-08-31T09:29:25,046   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf
2025-08-31T09:29:25,048   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o
2025-08-31T09:29:25,050   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o
2025-08-31T09:29:25,052   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:29:25,053   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
2025-08-31T09:29:25,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n
2025-08-31T09:29:25,057   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n
2025-08-31T09:29:25,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2
2025-08-31T09:29:25,061   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2
2025-08-31T09:29:25,064   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:29:25,065   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
2025-08-31T09:29:25,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco
2025-08-31T09:29:25,069   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco
2025-08-31T09:29:25,071   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:25,073   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh
2025-08-31T09:29:25,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc
2025-08-31T09:29:25,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc
2025-08-31T09:29:25,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:25,080   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi
2025-08-31T09:29:25,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2
2025-08-31T09:29:25,084   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2
2025-08-31T09:29:25,087   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4
2025-08-31T09:29:25,088   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4
2025-08-31T09:29:25,090   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio
2025-08-31T09:29:25,092   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio
2025-08-31T09:29:25,094   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o
2025-08-31T09:29:25,096   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o
2025-08-31T09:29:25,098   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:25,100   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:29:25,102   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs
2025-08-31T09:29:25,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs
2025-08-31T09:29:25,106   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h
2025-08-31T09:29:25,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h
2025-08-31T09:29:25,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:25,111   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene
2025-08-31T09:29:25,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo
2025-08-31T09:29:25,115   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
2025-08-31T09:29:25,118   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne
2025-08-31T09:29:25,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne
2025-08-31T09:29:25,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn
2025-08-31T09:29:25,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn
2025-08-31T09:29:25,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:29:25,127   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
2025-08-31T09:29:25,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s
2025-08-31T09:29:25,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s
2025-08-31T09:29:25,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si
2025-08-31T09:29:25,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si
2025-08-31T09:29:25,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:25,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh
2025-08-31T09:29:25,141   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc
2025-08-31T09:29:25,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc
2025-08-31T09:29:25,145   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3
2025-08-31T09:29:25,146   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3
2025-08-31T09:29:25,149   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs
2025-08-31T09:29:25,150   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs
2025-08-31T09:29:25,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf
2025-08-31T09:29:25,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf
2025-08-31T09:29:25,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo
2025-08-31T09:29:25,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo
2025-08-31T09:29:25,161   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco
2025-08-31T09:29:25,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco
2025-08-31T09:29:25,165   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf
2025-08-31T09:29:25,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf
2025-08-31T09:29:25,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:25,170   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2
2025-08-31T09:29:25,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic
2025-08-31T09:29:25,174   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic
2025-08-31T09:29:25,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh
2025-08-31T09:29:25,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh
2025-08-31T09:29:25,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co
2025-08-31T09:29:25,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co
2025-08-31T09:29:25,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o
2025-08-31T09:29:25,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o
2025-08-31T09:29:25,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh
2025-08-31T09:29:25,190   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh
2025-08-31T09:29:25,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4
2025-08-31T09:29:25,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4
2025-08-31T09:29:25,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2
2025-08-31T09:29:25,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2
2025-08-31T09:29:25,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf
2025-08-31T09:29:25,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf
2025-08-31T09:29:25,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4
2025-08-31T09:29:25,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4
2025-08-31T09:29:25,207   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh
2025-08-31T09:29:25,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh
2025-08-31T09:29:25,211   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:25,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh
2025-08-31T09:29:25,215   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf
2025-08-31T09:29:25,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf
2025-08-31T09:29:25,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2
2025-08-31T09:29:25,220   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2
2025-08-31T09:29:25,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch
2025-08-31T09:29:25,224   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch
2025-08-31T09:29:25,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so
2025-08-31T09:29:25,228   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so
2025-08-31T09:29:25,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof
2025-08-31T09:29:25,232   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof
2025-08-31T09:29:25,234   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:25,236   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3
2025-08-31T09:29:25,239   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3
2025-08-31T09:29:25,240   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3
2025-08-31T09:29:25,242   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h
2025-08-31T09:29:25,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h
2025-08-31T09:29:25,246   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:25,247   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6
2025-08-31T09:29:25,250   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2
2025-08-31T09:29:25,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2
2025-08-31T09:29:25,254   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be
2025-08-31T09:29:25,255   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be
2025-08-31T09:29:25,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof
2025-08-31T09:29:25,259   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof
2025-08-31T09:29:25,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:25,263   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o
2025-08-31T09:29:25,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo
2025-08-31T09:29:25,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo
2025-08-31T09:29:25,269   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3
2025-08-31T09:29:25,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3
2025-08-31T09:29:25,273   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p
2025-08-31T09:29:25,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p
2025-08-31T09:29:25,277   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic
2025-08-31T09:29:25,278   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic
2025-08-31T09:29:25,281   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif
2025-08-31T09:29:25,282   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif
2025-08-31T09:29:25,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c
2025-08-31T09:29:25,286   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c
2025-08-31T09:29:25,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2
2025-08-31T09:29:25,290   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2
2025-08-31T09:29:25,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:25,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f
2025-08-31T09:29:25,296   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene
2025-08-31T09:29:25,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene
2025-08-31T09:29:25,300   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol
2025-08-31T09:29:25,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol
2025-08-31T09:29:25,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3
2025-08-31T09:29:25,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3
2025-08-31T09:29:25,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:29:25,308   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
2025-08-31T09:29:25,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b
2025-08-31T09:29:25,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b
2025-08-31T09:29:25,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof
2025-08-31T09:29:25,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof
2025-08-31T09:29:25,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono
2025-08-31T09:29:25,320   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
2025-08-31T09:29:25,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:29:25,323   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
2025-08-31T09:29:25,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2
2025-08-31T09:29:25,327   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2
2025-08-31T09:29:25,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl
2025-08-31T09:29:25,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl
2025-08-31T09:29:25,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f
2025-08-31T09:29:25,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f
2025-08-31T09:29:25,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o
2025-08-31T09:29:25,339   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o
2025-08-31T09:29:25,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2
2025-08-31T09:29:25,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2
2025-08-31T09:29:25,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn
2025-08-31T09:29:25,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn
2025-08-31T09:29:25,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:25,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4
2025-08-31T09:29:25,353   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:25,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f
2025-08-31T09:29:25,356   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene
2025-08-31T09:29:25,358   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene
2025-08-31T09:29:25,360   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4
2025-08-31T09:29:25,362   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4
2025-08-31T09:29:25,364   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:25,366   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2
2025-08-31T09:29:25,368   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2
2025-08-31T09:29:25,369   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2
2025-08-31T09:29:25,372   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:29:25,373   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
2025-08-31T09:29:25,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl
2025-08-31T09:29:25,377   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl
2025-08-31T09:29:25,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo
2025-08-31T09:29:25,381   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo
2025-08-31T09:29:25,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2
2025-08-31T09:29:25,385   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2
2025-08-31T09:29:25,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:25,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2
2025-08-31T09:29:25,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:25,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:29:25,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh
2025-08-31T09:29:25,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh
2025-08-31T09:29:25,399   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2
2025-08-31T09:29:25,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2
2025-08-31T09:29:25,403   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh
2025-08-31T09:29:25,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh
2025-08-31T09:29:25,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl
2025-08-31T09:29:25,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl
2025-08-31T09:29:25,411   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s
2025-08-31T09:29:25,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s
2025-08-31T09:29:25,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3
2025-08-31T09:29:25,416   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3
2025-08-31T09:29:25,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:25,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch
2025-08-31T09:29:25,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:25,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl
2025-08-31T09:29:25,425   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane
2025-08-31T09:29:25,426   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane
2025-08-31T09:29:25,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch
2025-08-31T09:29:25,430   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch
2025-08-31T09:29:25,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs
2025-08-31T09:29:25,434   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs
2025-08-31T09:29:25,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:25,438   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6
2025-08-31T09:29:25,440   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:25,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn
2025-08-31T09:29:25,444   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2
2025-08-31T09:29:25,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2
2025-08-31T09:29:25,448   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3
2025-08-31T09:29:25,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3
2025-08-31T09:29:25,452   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2
2025-08-31T09:29:25,453   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2
2025-08-31T09:29:25,456   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih
2025-08-31T09:29:25,457   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih
2025-08-31T09:29:25,460   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co
2025-08-31T09:29:25,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co
2025-08-31T09:29:25,464   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:25,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6
2025-08-31T09:29:25,468   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al
2025-08-31T09:29:25,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al
2025-08-31T09:29:25,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2
2025-08-31T09:29:25,473   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2
2025-08-31T09:29:25,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3
2025-08-31T09:29:25,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3
2025-08-31T09:29:25,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:25,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4
2025-08-31T09:29:25,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2
2025-08-31T09:29:25,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2
2025-08-31T09:29:25,489   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4
2025-08-31T09:29:25,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4
2025-08-31T09:29:25,493   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn
2025-08-31T09:29:25,494   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn
2025-08-31T09:29:25,497   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono
2025-08-31T09:29:25,498   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
2025-08-31T09:29:25,501   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no
2025-08-31T09:29:25,502   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no
2025-08-31T09:29:25,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3
2025-08-31T09:29:25,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3
2025-08-31T09:29:25,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:25,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:29:25,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of
2025-08-31T09:29:25,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of
2025-08-31T09:29:25,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o
2025-08-31T09:29:25,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o
2025-08-31T09:29:25,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh
2025-08-31T09:29:25,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh
2025-08-31T09:29:25,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2
2025-08-31T09:29:25,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2
2025-08-31T09:29:25,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co
2025-08-31T09:29:25,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co
2025-08-31T09:29:25,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:25,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane
2025-08-31T09:29:25,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:25,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f
2025-08-31T09:29:25,540   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:25,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal
2025-08-31T09:29:25,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl
2025-08-31T09:29:25,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl
2025-08-31T09:29:25,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno
2025-08-31T09:29:25,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno
2025-08-31T09:29:25,550   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn
2025-08-31T09:29:25,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn
2025-08-31T09:29:25,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2
2025-08-31T09:29:25,555   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2
2025-08-31T09:29:25,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:25,559   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol
2025-08-31T09:29:25,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene
2025-08-31T09:29:25,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene
2025-08-31T09:29:25,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3
2025-08-31T09:29:25,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3
2025-08-31T09:29:25,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:25,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane
2025-08-31T09:29:25,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:25,577   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c
2025-08-31T09:29:25,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2
2025-08-31T09:29:25,581   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2
2025-08-31T09:29:25,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno
2025-08-31T09:29:25,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno
2025-08-31T09:29:25,587   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c
2025-08-31T09:29:25,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c
2025-08-31T09:29:25,591   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c
2025-08-31T09:29:25,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c
2025-08-31T09:29:25,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c
2025-08-31T09:29:25,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c
2025-08-31T09:29:25,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a
2025-08-31T09:29:25,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a
2025-08-31T09:29:25,601   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b
2025-08-31T09:29:25,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b
2025-08-31T09:29:25,605   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a
2025-08-31T09:29:25,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a
2025-08-31T09:29:25,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b
2025-08-31T09:29:25,610   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b
2025-08-31T09:29:25,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a
2025-08-31T09:29:25,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a
2025-08-31T09:29:25,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a
2025-08-31T09:29:25,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a
2025-08-31T09:29:25,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b
2025-08-31T09:29:25,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b
2025-08-31T09:29:25,623   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d
2025-08-31T09:29:25,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d
2025-08-31T09:29:25,627   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b
2025-08-31T09:29:25,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b
2025-08-31T09:29:25,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a
2025-08-31T09:29:25,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a
2025-08-31T09:29:25,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b
2025-08-31T09:29:25,636   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b
2025-08-31T09:29:25,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a
2025-08-31T09:29:25,640   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a
2025-08-31T09:29:25,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b
2025-08-31T09:29:25,644   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b
2025-08-31T09:29:25,646   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b
2025-08-31T09:29:25,648   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b
2025-08-31T09:29:25,650   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b
2025-08-31T09:29:25,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b
2025-08-31T09:29:25,654   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a
2025-08-31T09:29:25,655   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a
2025-08-31T09:29:25,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a
2025-08-31T09:29:25,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a
2025-08-31T09:29:25,661   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a
2025-08-31T09:29:25,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a
2025-08-31T09:29:25,665   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b
2025-08-31T09:29:25,666   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b
2025-08-31T09:29:25,669   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a
2025-08-31T09:29:25,670   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a
2025-08-31T09:29:25,672   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d
2025-08-31T09:29:25,674   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d
2025-08-31T09:29:25,676   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b
2025-08-31T09:29:25,678   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b
2025-08-31T09:29:25,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04
2025-08-31T09:29:25,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04
2025-08-31T09:29:25,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23
2025-08-31T09:29:25,686   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23
2025-08-31T09:29:25,688   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43
2025-08-31T09:29:25,690   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43
2025-08-31T09:29:25,692   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11
2025-08-31T09:29:25,693   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11
2025-08-31T09:29:25,696   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:25,697   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4
2025-08-31T09:29:25,700   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:25,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2
2025-08-31T09:29:25,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31
2025-08-31T09:29:25,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31
2025-08-31T09:29:25,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15
2025-08-31T09:29:25,709   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15
2025-08-31T09:29:25,711   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09
2025-08-31T09:29:25,713   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09
2025-08-31T09:29:25,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20
2025-08-31T09:29:25,716   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20
2025-08-31T09:29:25,719   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36
2025-08-31T09:29:25,720   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36
2025-08-31T09:29:25,722   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01
2025-08-31T09:29:25,724   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01
2025-08-31T09:29:25,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06
2025-08-31T09:29:25,727   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06
2025-08-31T09:29:25,730   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32
2025-08-31T09:29:25,731   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32
2025-08-31T09:29:25,734   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39
2025-08-31T09:29:25,735   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39
2025-08-31T09:29:25,738   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:25,739   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4
2025-08-31T09:29:25,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2
2025-08-31T09:29:25,743   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2
2025-08-31T09:29:25,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:25,747   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2
2025-08-31T09:29:25,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14
2025-08-31T09:29:25,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14
2025-08-31T09:29:25,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:25,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2
2025-08-31T09:29:25,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34
2025-08-31T09:29:25,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34
2025-08-31T09:29:25,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:25,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH
2025-08-31T09:29:25,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38
2025-08-31T09:29:25,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38
2025-08-31T09:29:25,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22
2025-08-31T09:29:25,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22
2025-08-31T09:29:25,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2
2025-08-31T09:29:25,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2
2025-08-31T09:29:25,776   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2
2025-08-31T09:29:25,777   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2
2025-08-31T09:29:25,779   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:25,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH
2025-08-31T09:29:25,783   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07
2025-08-31T09:29:25,784   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07
2025-08-31T09:29:25,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2
2025-08-31T09:29:25,788   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2
2025-08-31T09:29:25,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29
2025-08-31T09:29:25,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29
2025-08-31T09:29:25,794   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19
2025-08-31T09:29:25,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19
2025-08-31T09:29:25,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24
2025-08-31T09:29:25,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24
2025-08-31T09:29:25,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33
2025-08-31T09:29:25,803   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33
2025-08-31T09:29:25,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25
2025-08-31T09:29:25,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25
2025-08-31T09:29:25,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28
2025-08-31T09:29:25,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28
2025-08-31T09:29:25,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35
2025-08-31T09:29:25,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35
2025-08-31T09:29:25,817   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16
2025-08-31T09:29:25,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16
2025-08-31T09:29:25,821   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26
2025-08-31T09:29:25,822   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26
2025-08-31T09:29:25,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03
2025-08-31T09:29:25,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03
2025-08-31T09:29:25,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05
2025-08-31T09:29:25,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05
2025-08-31T09:29:25,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2
2025-08-31T09:29:25,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2
2025-08-31T09:29:25,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08
2025-08-31T09:29:25,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08
2025-08-31T09:29:25,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10
2025-08-31T09:29:25,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10
2025-08-31T09:29:25,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41
2025-08-31T09:29:25,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41
2025-08-31T09:29:25,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:25,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3
2025-08-31T09:29:25,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37
2025-08-31T09:29:25,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37
2025-08-31T09:29:25,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12
2025-08-31T09:29:25,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12
2025-08-31T09:29:25,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02
2025-08-31T09:29:25,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02
2025-08-31T09:29:25,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13
2025-08-31T09:29:25,865   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13
2025-08-31T09:29:25,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18
2025-08-31T09:29:25,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18
2025-08-31T09:29:25,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40
2025-08-31T09:29:25,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40
2025-08-31T09:29:25,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2
2025-08-31T09:29:25,875   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2
2025-08-31T09:29:25,878   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30
2025-08-31T09:29:25,879   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30
2025-08-31T09:29:25,881   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21
2025-08-31T09:29:25,883   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21
2025-08-31T09:29:25,885   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27
2025-08-31T09:29:25,886   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27
2025-08-31T09:29:25,889   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:25,891   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3
2025-08-31T09:29:25,893   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42
2025-08-31T09:29:25,894   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42
2025-08-31T09:29:25,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17
2025-08-31T09:29:25,898   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17
2025-08-31T09:29:25,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:25,903   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:29:25,906   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:25,907   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:29:25,909   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:25,911   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02
2025-08-31T09:29:25,913   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:25,915   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:29:25,917   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:25,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o
2025-08-31T09:29:25,921   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:25,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2
2025-08-31T09:29:25,925   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:25,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05
2025-08-31T09:29:25,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:25,931   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08
2025-08-31T09:29:25,933   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:25,935   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18
2025-08-31T09:29:25,937   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h
2025-08-31T09:29:25,938   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h
2025-08-31T09:29:25,941   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:25,942   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:29:25,944   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:25,946   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06
2025-08-31T09:29:25,948   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:25,949   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2
2025-08-31T09:29:25,952   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:25,953   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:29:25,956   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:25,957   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5
2025-08-31T09:29:25,959   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:25,961   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15
2025-08-31T09:29:25,963   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:25,965   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:29:25,967   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:25,969   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:29:25,971   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:25,973   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc
2025-08-31T09:29:25,975   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf
2025-08-31T09:29:25,977   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf
2025-08-31T09:29:25,979   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:25,980   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:29:25,983   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco
2025-08-31T09:29:25,984   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco
2025-08-31T09:29:25,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:25,988   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4
2025-08-31T09:29:25,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:25,991   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14
2025-08-31T09:29:25,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh
2025-08-31T09:29:25,995   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh
2025-08-31T09:29:25,997   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:25,999   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13
2025-08-31T09:29:26,001   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:26,003   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:29:26,005   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:26,006   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09
2025-08-31T09:29:26,009   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf
2025-08-31T09:29:26,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf
2025-08-31T09:29:26,012   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2
2025-08-31T09:29:26,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2
2025-08-31T09:29:26,016   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2
2025-08-31T09:29:26,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2
2025-08-31T09:29:26,020   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:26,021   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07
2025-08-31T09:29:26,024   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:26,025   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8
2025-08-31T09:29:26,028   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:26,029   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:29:26,032   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:26,033   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10
2025-08-31T09:29:26,036   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:26,037   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:29:26,040   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:26,041   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:29:26,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:26,045   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:29:26,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:26,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts
2025-08-31T09:29:26,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:26,052   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2
2025-08-31T09:29:26,055   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl
2025-08-31T09:29:26,056   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl
2025-08-31T09:29:26,059   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f
2025-08-31T09:29:26,060   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f
2025-08-31T09:29:26,062   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:26,064   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19
2025-08-31T09:29:26,066   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:26,068   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:29:26,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:26,071   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03
2025-08-31T09:29:26,074   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:26,075   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:29:26,077   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:26,079   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3
2025-08-31T09:29:26,081   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:26,083   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16
2025-08-31T09:29:26,085   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:26,087   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3
2025-08-31T09:29:26,089   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:26,091   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12
2025-08-31T09:29:26,093   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:26,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6
2025-08-31T09:29:26,097   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:26,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:29:26,100   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:26,102   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S
2025-08-31T09:29:26,104   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:26,105   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01
2025-08-31T09:29:26,108   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O
2025-08-31T09:29:26,109   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O
2025-08-31T09:29:26,112   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:26,113   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04
2025-08-31T09:29:26,115   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:26,117   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20
2025-08-31T09:29:26,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:26,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts
2025-08-31T09:29:26,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:26,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7
2025-08-31T09:29:26,127   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:26,128   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H
2025-08-31T09:29:26,131   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:26,132   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-
2025-08-31T09:29:26,135   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS
2025-08-31T09:29:26,136   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS
2025-08-31T09:29:26,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:26,140   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3
2025-08-31T09:29:26,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:26,144   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-
2025-08-31T09:29:26,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:26,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4
2025-08-31T09:29:26,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2
2025-08-31T09:29:26,151   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2
2025-08-31T09:29:26,153   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:26,154   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22
2025-08-31T09:29:26,157   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:26,158   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5
2025-08-31T09:29:26,160   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:26,162   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:29:26,164   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:26,166   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:29:26,168   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH
2025-08-31T09:29:26,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH
2025-08-31T09:29:26,172   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:26,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:29:26,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co
2025-08-31T09:29:26,177   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co
2025-08-31T09:29:26,179   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:26,181   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:29:26,183   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:26,185   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts
2025-08-31T09:29:26,187   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:26,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f
2025-08-31T09:29:26,191   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:26,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O
2025-08-31T09:29:26,195   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:26,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2
2025-08-31T09:29:26,199   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:26,200   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl
2025-08-31T09:29:26,203   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:26,204   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:29:26,206   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:26,208   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots
2025-08-31T09:29:26,210   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:26,211   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn
2025-08-31T09:29:26,214   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:26,215   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11
2025-08-31T09:29:26,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:26,219   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21
2025-08-31T09:29:26,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:26,222   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17
2025-08-31T09:29:26,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-
2025-08-31T09:29:26,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-
2025-08-31T09:29:26,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:26,231   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:29:26,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:26,235   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:29:26,237   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:26,239   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:29:26,241   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:26,243   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:29:26,245   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:26,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:29:26,249   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:26,251   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:29:26,253   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:26,254   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:29:26,257   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:26,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:29:26,261   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:26,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:29:26,265   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:26,266   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:29:26,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:26,270   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:29:26,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:26,274   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:29:26,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:26,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:29:26,280   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:26,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:29:26,284   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:26,285   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:29:26,288   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:26,289   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:29:26,292   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:26,293   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:29:26,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:26,297   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:29:26,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:26,301   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:29:26,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:26,305   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:29:26,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:26,308   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:29:26,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:26,312   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:29:26,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:26,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:29:26,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:26,320   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:29:26,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:26,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:29:26,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:26,328   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:29:26,330   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:26,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:29:26,334   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:26,335   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:29:26,338   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:26,340   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:29:26,342   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:26,344   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:29:26,346   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:26,348   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:29:26,350   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:26,351   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:29:26,354   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:26,355   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:29:26,358   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:26,360   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:29:26,362   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:26,364   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:29:26,366   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:26,368   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:29:26,370   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:26,371   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:29:26,374   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:26,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:29:26,378   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:26,379   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:29:26,382   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:26,383   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:29:26,385   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:26,387   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:29:26,389   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:26,391   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:29:26,393   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:26,395   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:29:26,397   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:26,398   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:29:26,401   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:26,402   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:29:26,405   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:26,406   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:29:26,409   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:26,410   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:29:26,413   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:26,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:29:26,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:26,420   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:29:26,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:26,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:29:26,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:26,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:29:26,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:26,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:29:26,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:26,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:29:26,438   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:26,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:29:26,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:26,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:29:26,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:26,447   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:29:26,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:26,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:29:26,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:26,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:29:26,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:26,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:29:26,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:26,462   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:29:26,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:26,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:29:26,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:26,471   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:29:26,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:26,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:29:26,477   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:26,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:29:26,481   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:26,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:29:26,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:26,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:29:26,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:26,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:29:26,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:26,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:29:26,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:26,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:29:26,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:26,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:29:26,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:26,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:29:26,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:26,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:29:26,512   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:26,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:29:26,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:26,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:29:26,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:26,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:29:26,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:26,526   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:29:26,528   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:26,530   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:29:26,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:26,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:29:26,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:26,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:29:26,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:26,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:29:26,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:26,545   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:29:26,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:26,549   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:29:26,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:26,553   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:29:26,555   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:26,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:29:26,559   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:26,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:29:26,563   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:26,564   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:29:26,567   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:26,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:29:26,571   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:26,572   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:29:26,575   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:26,576   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:29:26,579   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:26,580   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:29:26,583   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:26,584   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:29:26,586   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:26,588   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:29:26,590   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:26,592   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:29:26,594   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:26,595   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:29:26,598   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:26,599   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:29:26,602   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:26,603   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:29:26,606   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:26,607   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:29:26,610   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:26,611   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:29:26,614   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:26,615   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:29:26,617   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:26,619   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:29:26,622   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49
2025-08-31T09:29:26,624   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49
2025-08-31T09:29:26,626   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40
2025-08-31T09:29:26,628   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40
2025-08-31T09:29:26,630   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51
2025-08-31T09:29:26,632   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51
2025-08-31T09:29:26,634   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40
2025-08-31T09:29:26,635   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40
2025-08-31T09:29:26,638   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25
2025-08-31T09:29:26,639   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25
2025-08-31T09:29:26,642   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45
2025-08-31T09:29:26,643   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45
2025-08-31T09:29:26,645   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44
2025-08-31T09:29:26,647   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44
2025-08-31T09:29:26,649   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57
2025-08-31T09:29:26,651   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57
2025-08-31T09:29:26,653   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48
2025-08-31T09:29:26,654   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48
2025-08-31T09:29:26,657   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22
2025-08-31T09:29:26,659   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22
2025-08-31T09:29:26,662   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47
2025-08-31T09:29:26,663   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47
2025-08-31T09:29:26,666   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26
2025-08-31T09:29:26,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26
2025-08-31T09:29:26,670   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43
2025-08-31T09:29:26,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43
2025-08-31T09:29:26,675   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52
2025-08-31T09:29:26,677   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52
2025-08-31T09:29:26,680   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25
2025-08-31T09:29:26,682   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25
2025-08-31T09:29:26,685   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20
2025-08-31T09:29:26,687   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20
2025-08-31T09:29:26,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29
2025-08-31T09:29:26,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29
2025-08-31T09:29:26,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21
2025-08-31T09:29:26,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21
2025-08-31T09:29:26,699   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47
2025-08-31T09:29:26,701   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47
2025-08-31T09:29:26,703   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56
2025-08-31T09:29:26,705   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56
2025-08-31T09:29:26,708   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51
2025-08-31T09:29:26,710   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51
2025-08-31T09:29:26,712   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49
2025-08-31T09:29:26,714   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49
2025-08-31T09:29:26,716   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20
2025-08-31T09:29:26,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20
2025-08-31T09:29:26,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44
2025-08-31T09:29:26,723   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44
2025-08-31T09:29:26,726   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52
2025-08-31T09:29:26,729   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52
2025-08-31T09:29:26,732   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26
2025-08-31T09:29:26,733   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26
2025-08-31T09:29:26,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46
2025-08-31T09:29:26,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46
2025-08-31T09:29:26,740   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48
2025-08-31T09:29:26,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48
2025-08-31T09:29:26,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43
2025-08-31T09:29:26,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43
2025-08-31T09:29:26,749   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46
2025-08-31T09:29:26,751   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46
2025-08-31T09:29:26,753   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56
2025-08-31T09:29:26,755   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56
2025-08-31T09:29:26,757   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60
2025-08-31T09:29:26,759   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60
2025-08-31T09:29:26,761   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28
2025-08-31T09:29:26,763   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28
2025-08-31T09:29:26,765   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60
2025-08-31T09:29:26,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60
2025-08-31T09:29:26,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45
2025-08-31T09:29:26,769   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45
2025-08-31T09:29:26,772   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22
2025-08-31T09:29:26,773   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22
2025-08-31T09:29:26,775   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:26,777   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o
2025-08-31T09:29:26,779   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:26,781   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12
2025-08-31T09:29:26,783   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:26,784   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15
2025-08-31T09:29:26,787   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:26,788   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n
2025-08-31T09:29:26,791   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:26,792   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f
2025-08-31T09:29:26,795   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:26,796   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14
2025-08-31T09:29:26,798   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:26,800   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-
2025-08-31T09:29:26,802   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:26,804   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl
2025-08-31T09:29:26,806   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:26,807   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p
2025-08-31T09:29:26,810   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:26,811   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n
2025-08-31T09:29:26,814   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:26,815   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20
2025-08-31T09:29:26,818   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:26,819   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n
2025-08-31T09:29:26,822   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:26,823   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n
2025-08-31T09:29:26,825   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:26,826   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c
2025-08-31T09:29:26,829   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:26,830   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19
2025-08-31T09:29:26,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:26,834   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10
2025-08-31T09:29:26,836   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:26,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21
2025-08-31T09:29:26,840   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:26,841   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13
2025-08-31T09:29:26,844   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:26,845   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22
2025-08-31T09:29:26,847   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:26,849   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11
2025-08-31T09:29:26,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:26,853   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n
2025-08-31T09:29:26,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:26,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8
2025-08-31T09:29:26,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:26,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si
2025-08-31T09:29:26,863   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:26,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-
2025-08-31T09:29:26,867   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:26,869   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9
2025-08-31T09:29:26,871   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:26,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n
2025-08-31T09:29:26,875   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:26,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-
2025-08-31T09:29:26,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:26,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16
2025-08-31T09:29:26,882   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:26,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n
2025-08-31T09:29:26,886   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:26,887   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n
2025-08-31T09:29:26,890   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:26,891   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-
2025-08-31T09:29:26,894   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:26,895   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-
2025-08-31T09:29:26,897   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:26,899   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n
2025-08-31T09:29:26,901   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:26,902   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17
2025-08-31T09:29:26,905   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:26,906   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n
2025-08-31T09:29:26,908   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:26,910   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n
2025-08-31T09:29:26,912   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:26,913   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-
2025-08-31T09:29:26,916   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:26,917   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25
2025-08-31T09:29:26,920   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:26,921   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n
2025-08-31T09:29:26,923   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:26,925   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n
2025-08-31T09:29:26,927   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:26,929   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n
2025-08-31T09:29:26,931   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:26,933   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24
2025-08-31T09:29:26,935   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:26,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n
2025-08-31T09:29:26,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:26,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s
2025-08-31T09:29:26,942   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:26,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n
2025-08-31T09:29:26,946   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:26,947   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n
2025-08-31T09:29:26,950   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:26,951   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18
2025-08-31T09:29:26,953   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:26,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:29:26,957   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:26,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n
2025-08-31T09:29:26,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:26,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23
2025-08-31T09:29:26,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:26,967   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:29:26,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:29:26,970   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
2025-08-31T09:29:26,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:29:26,974   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
2025-08-31T09:29:26,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:29:26,978   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
2025-08-31T09:29:26,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:26,982   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:29:26,984   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:26,986   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:29:26,988   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:29:26,989   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
2025-08-31T09:29:26,992   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:26,993   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:29:26,995   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:29:26,997   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
2025-08-31T09:29:26,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:27,000   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:29:27,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:29:27,004   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
2025-08-31T09:29:27,006   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:27,008   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:29:27,010   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:27,012   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:29:27,014   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:29:27,016   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
2025-08-31T09:29:27,018   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:27,019   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:29:27,022   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:27,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:29:27,026   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:27,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:29:27,030   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:27,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:29:27,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS
2025-08-31T09:29:27,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS
2025-08-31T09:29:27,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:27,039   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:29:27,042   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:29:27,043   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
2025-08-31T09:29:27,045   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:27,047   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:29:27,049   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:29:27,050   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
2025-08-31T09:29:27,053   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:29:27,054   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
2025-08-31T09:29:27,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:29:27,058   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
2025-08-31T09:29:27,061   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:29:27,062   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
2025-08-31T09:29:27,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:29:27,066   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
2025-08-31T09:29:27,068   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl
2025-08-31T09:29:27,070   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl
2025-08-31T09:29:27,072   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:27,074   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:29:27,076   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:27,078   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:29:27,080   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:29:27,082   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
2025-08-31T09:29:27,084   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:27,086   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:29:27,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:27,090   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2
2025-08-31T09:29:27,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:29:27,093   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
2025-08-31T09:29:27,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:29:27,097   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
2025-08-31T09:29:27,099   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:27,101   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:29:27,103   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:27,104   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:29:27,107   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:27,108   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:29:27,111   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:29:27,112   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
2025-08-31T09:29:27,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:29:27,116   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
2025-08-31T09:29:27,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:27,120   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:29:27,122   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI
2025-08-31T09:29:27,124   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI
2025-08-31T09:29:27,126   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:29:27,127   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
2025-08-31T09:29:27,130   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:27,131   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:29:27,134   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:27,135   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:29:27,138   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:27,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:29:27,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:27,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:29:27,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:27,147   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:29:27,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:29:27,152   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
2025-08-31T09:29:27,154   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:27,155   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:29:27,158   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:29:27,159   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
2025-08-31T09:29:27,162   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr
2025-08-31T09:29:27,163   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr
2025-08-31T09:29:27,166   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:27,167   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:29:27,169   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:29:27,171   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
2025-08-31T09:29:27,173   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:27,175   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:29:27,177   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:29:27,178   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
2025-08-31T09:29:27,181   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:27,183   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:29:27,185   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:27,187   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:29:27,189   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:27,191   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:29:27,193   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:29:27,195   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
2025-08-31T09:29:27,197   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:27,199   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr
2025-08-31T09:29:27,201   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI
2025-08-31T09:29:27,203   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI
2025-08-31T09:29:27,205   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr
2025-08-31T09:29:27,207   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr
2025-08-31T09:29:27,209   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:29:27,210   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
2025-08-31T09:29:27,213   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3
2025-08-31T09:29:27,214   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3
2025-08-31T09:29:27,217   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:29:27,218   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
2025-08-31T09:29:27,221   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:29:27,222   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
2025-08-31T09:29:27,225   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI
2025-08-31T09:29:27,226   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI
2025-08-31T09:29:27,229   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH
2025-08-31T09:29:27,230   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH
2025-08-31T09:29:27,233   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:29:27,234   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
2025-08-31T09:29:27,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:27,238   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:29:27,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:29:27,242   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
2025-08-31T09:29:27,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe
2025-08-31T09:29:27,246   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe
2025-08-31T09:29:27,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:27,250   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:29:27,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:29:27,254   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
2025-08-31T09:29:27,256   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:27,258   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:29:27,260   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:27,262   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:29:27,264   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:27,265   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:29:27,268   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:29:27,269   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
2025-08-31T09:29:27,272   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:29:27,273   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
2025-08-31T09:29:27,276   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:27,277   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:29:27,279   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:27,281   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH
2025-08-31T09:29:27,283   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:29:27,285   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
2025-08-31T09:29:27,287   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:27,288   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:29:27,291   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:27,292   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:29:27,295   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:27,296   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3
2025-08-31T09:29:27,299   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:29:27,300   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
2025-08-31T09:29:27,303   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:27,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr
2025-08-31T09:29:27,307   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:27,309   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:29:27,311   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:29:27,312   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
2025-08-31T09:29:27,315   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:27,316   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:29:27,319   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:29:27,320   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
2025-08-31T09:29:27,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:27,324   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:29:27,326   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:29:27,327   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
2025-08-31T09:29:27,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:29:27,331   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
2025-08-31T09:29:27,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:29:27,335   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
2025-08-31T09:29:27,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:27,338   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI
2025-08-31T09:29:27,341   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS
2025-08-31T09:29:27,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS
2025-08-31T09:29:27,345   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH
2025-08-31T09:29:27,346   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH
2025-08-31T09:29:27,349   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:27,350   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:29:27,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:27,354   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:29:27,357   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:29:27,358   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
2025-08-31T09:29:27,361   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:29:27,362   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
2025-08-31T09:29:27,365   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:29:27,366   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
2025-08-31T09:29:27,369   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:27,370   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:29:27,373   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:27,375   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7
2025-08-31T09:29:27,377   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:27,378   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:29:27,381   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:27,382   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9
2025-08-31T09:29:27,384   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:27,386   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2
2025-08-31T09:29:27,388   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:27,389   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9
2025-08-31T09:29:27,392   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:27,393   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4
2025-08-31T09:29:27,396   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:27,397   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2
2025-08-31T09:29:27,400   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:27,401   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:29:27,404   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:27,405   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5
2025-08-31T09:29:27,407   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:27,409   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4
2025-08-31T09:29:27,412   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:27,413   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:29:27,415   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:27,417   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6
2025-08-31T09:29:27,419   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:27,421   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:29:27,423   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:27,424   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:29:27,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:27,428   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7
2025-08-31T09:29:27,430   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:27,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o
2025-08-31T09:29:27,434   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:27,435   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6
2025-08-31T09:29:27,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:27,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5
2025-08-31T09:29:27,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:27,442   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1
2025-08-31T09:29:27,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:27,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:29:27,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:27,451   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8
2025-08-31T09:29:27,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:27,455   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:29:27,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:27,459   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1
2025-08-31T09:29:27,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:27,463   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8
2025-08-31T09:29:27,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:27,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:29:27,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:27,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3
2025-08-31T09:29:27,473   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:27,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3
2025-08-31T09:29:27,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:27,478   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:29:27,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29
2025-08-31T09:29:27,482   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29
2025-08-31T09:29:27,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28
2025-08-31T09:29:27,486   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28
2025-08-31T09:29:27,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20
2025-08-31T09:29:27,490   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20
2025-08-31T09:29:27,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9
2025-08-31T09:29:27,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9
2025-08-31T09:29:27,495   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33
2025-08-31T09:29:27,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33
2025-08-31T09:29:27,499   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24
2025-08-31T09:29:27,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24
2025-08-31T09:29:27,503   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11
2025-08-31T09:29:27,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11
2025-08-31T09:29:27,507   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15
2025-08-31T09:29:27,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15
2025-08-31T09:29:27,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16
2025-08-31T09:29:27,512   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16
2025-08-31T09:29:27,515   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19
2025-08-31T09:29:27,516   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19
2025-08-31T09:29:27,519   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32
2025-08-31T09:29:27,520   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32
2025-08-31T09:29:27,523   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8
2025-08-31T09:29:27,524   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8
2025-08-31T09:29:27,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34
2025-08-31T09:29:27,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34
2025-08-31T09:29:27,532   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7
2025-08-31T09:29:27,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7
2025-08-31T09:29:27,536   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24
2025-08-31T09:29:27,537   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24
2025-08-31T09:29:27,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17
2025-08-31T09:29:27,541   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17
2025-08-31T09:29:27,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12
2025-08-31T09:29:27,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12
2025-08-31T09:29:27,547   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21
2025-08-31T09:29:27,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21
2025-08-31T09:29:27,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25
2025-08-31T09:29:27,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25
2025-08-31T09:29:27,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1
2025-08-31T09:29:27,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1
2025-08-31T09:29:27,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23
2025-08-31T09:29:27,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23
2025-08-31T09:29:27,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13
2025-08-31T09:29:27,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13
2025-08-31T09:29:27,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4
2025-08-31T09:29:27,567   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4
2025-08-31T09:29:27,570   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13
2025-08-31T09:29:27,571   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13
2025-08-31T09:29:27,574   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33
2025-08-31T09:29:27,575   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33
2025-08-31T09:29:27,577   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15
2025-08-31T09:29:27,579   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15
2025-08-31T09:29:27,581   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31
2025-08-31T09:29:27,583   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31
2025-08-31T09:29:27,585   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3
2025-08-31T09:29:27,587   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3
2025-08-31T09:29:27,589   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31
2025-08-31T09:29:27,590   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31
2025-08-31T09:29:27,593   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22
2025-08-31T09:29:27,594   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22
2025-08-31T09:29:27,597   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30
2025-08-31T09:29:27,598   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30
2025-08-31T09:29:27,600   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6
2025-08-31T09:29:27,602   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6
2025-08-31T09:29:27,604   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23
2025-08-31T09:29:27,606   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23
2025-08-31T09:29:27,608   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10
2025-08-31T09:29:27,609   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10
2025-08-31T09:29:27,612   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4
2025-08-31T09:29:27,613   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4
2025-08-31T09:29:27,616   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8
2025-08-31T09:29:27,617   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8
2025-08-31T09:29:27,620   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14
2025-08-31T09:29:27,621   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14
2025-08-31T09:29:27,624   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16
2025-08-31T09:29:27,625   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16
2025-08-31T09:29:27,628   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28
2025-08-31T09:29:27,629   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28
2025-08-31T09:29:27,631   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18
2025-08-31T09:29:27,633   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18
2025-08-31T09:29:27,635   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2
2025-08-31T09:29:27,637   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2
2025-08-31T09:29:27,639   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32
2025-08-31T09:29:27,641   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32
2025-08-31T09:29:27,643   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20
2025-08-31T09:29:27,645   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20
2025-08-31T09:29:27,647   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3
2025-08-31T09:29:27,649   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3
2025-08-31T09:29:27,652   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27
2025-08-31T09:29:27,653   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27
2025-08-31T09:29:27,656   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11
2025-08-31T09:29:27,657   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11
2025-08-31T09:29:27,659   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14
2025-08-31T09:29:27,661   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14
2025-08-31T09:29:27,663   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26
2025-08-31T09:29:27,664   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26
2025-08-31T09:29:27,667   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26
2025-08-31T09:29:27,668   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26
2025-08-31T09:29:27,671   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21
2025-08-31T09:29:27,672   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21
2025-08-31T09:29:27,674   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18
2025-08-31T09:29:27,676   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18
2025-08-31T09:29:27,679   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5
2025-08-31T09:29:27,680   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5
2025-08-31T09:29:27,683   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9
2025-08-31T09:29:27,684   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9
2025-08-31T09:29:27,687   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1
2025-08-31T09:29:27,688   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1
2025-08-31T09:29:27,690   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7
2025-08-31T09:29:27,692   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7
2025-08-31T09:29:27,694   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29
2025-08-31T09:29:27,696   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29
2025-08-31T09:29:27,698   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17
2025-08-31T09:29:27,700   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17
2025-08-31T09:29:27,702   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12
2025-08-31T09:29:27,704   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12
2025-08-31T09:29:27,706   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34
2025-08-31T09:29:27,708   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34
2025-08-31T09:29:27,710   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10
2025-08-31T09:29:27,712   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10
2025-08-31T09:29:27,715   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27
2025-08-31T09:29:27,718   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27
2025-08-31T09:29:27,721   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25
2025-08-31T09:29:27,722   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25
2025-08-31T09:29:27,724   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30
2025-08-31T09:29:27,726   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30
2025-08-31T09:29:27,728   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2
2025-08-31T09:29:27,730   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2
2025-08-31T09:29:27,733   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:29:27,734   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
2025-08-31T09:29:27,736   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:27,738   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2
2025-08-31T09:29:27,741   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip
2025-08-31T09:29:27,742   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip
2025-08-31T09:29:27,745   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8
2025-08-31T09:29:27,746   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8
2025-08-31T09:29:27,748   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb
2025-08-31T09:29:27,750   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb
2025-08-31T09:29:27,752   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:27,754   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36
2025-08-31T09:29:27,756   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen
2025-08-31T09:29:27,758   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen
2025-08-31T09:29:27,760   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:27,762   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35
2025-08-31T09:29:27,764   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:27,766   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene
2025-08-31T09:29:27,768   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:27,770   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl
2025-08-31T09:29:27,773   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:29:27,774   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
2025-08-31T09:29:27,777   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3
2025-08-31T09:29:27,778   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3
2025-08-31T09:29:27,781   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be
2025-08-31T09:29:27,782   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be
2025-08-31T09:29:27,785   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:29:27,786   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
2025-08-31T09:29:27,789   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen
2025-08-31T09:29:27,790   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen
2025-08-31T09:29:27,792   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:27,794   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36
2025-08-31T09:29:27,796   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:29:27,798   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
2025-08-31T09:29:27,800   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:27,801   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2
2025-08-31T09:29:27,804   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4
2025-08-31T09:29:27,806   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4
2025-08-31T09:29:27,808   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2
2025-08-31T09:29:27,809   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2
2025-08-31T09:29:27,812   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:27,813   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1
2025-08-31T09:29:27,816   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:27,817   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne
2025-08-31T09:29:27,820   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4
2025-08-31T09:29:27,821   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4
2025-08-31T09:29:27,824   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6
2025-08-31T09:29:27,825   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6
2025-08-31T09:29:27,828   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL
2025-08-31T09:29:27,829   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL
2025-08-31T09:29:27,832   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage
2025-08-31T09:29:27,833   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage
2025-08-31T09:29:27,835   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2
2025-08-31T09:29:27,837   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2
2025-08-31T09:29:27,839   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:27,840   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35
2025-08-31T09:29:27,843   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:27,844   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6
2025-08-31T09:29:27,846   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2
2025-08-31T09:29:27,848   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2
2025-08-31T09:29:27,851   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:27,852   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p
2025-08-31T09:29:27,855   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p
2025-08-31T09:29:27,856   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p
2025-08-31T09:29:27,859   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp
2025-08-31T09:29:27,860   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp
2025-08-31T09:29:27,862   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp
2025-08-31T09:29:27,864   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp
2025-08-31T09:29:27,866   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6
2025-08-31T09:29:27,868   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6
2025-08-31T09:29:27,870   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp
2025-08-31T09:29:27,872   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp
2025-08-31T09:29:27,874   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:27,876   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp
2025-08-31T09:29:27,879   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s
2025-08-31T09:29:27,880   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s
2025-08-31T09:29:27,883   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4
2025-08-31T09:29:27,884   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4
2025-08-31T09:29:27,887   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass
2025-08-31T09:29:27,888   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass
2025-08-31T09:29:27,891   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6
2025-08-31T09:29:27,892   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6
2025-08-31T09:29:27,895   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap
2025-08-31T09:29:27,896   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap
2025-08-31T09:29:27,899   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G
2025-08-31T09:29:27,900   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G
2025-08-31T09:29:27,903   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly
2025-08-31T09:29:27,904   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly
2025-08-31T09:29:27,907   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp
2025-08-31T09:29:27,908   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp
2025-08-31T09:29:27,911   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp
2025-08-31T09:29:27,912   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp
2025-08-31T09:29:27,914   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp
2025-08-31T09:29:27,916   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp
2025-08-31T09:29:27,918   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op
2025-08-31T09:29:27,919   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op
2025-08-31T09:29:27,922   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys
2025-08-31T09:29:27,923   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys
2025-08-31T09:29:27,926   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:27,927   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp
2025-08-31T09:29:27,930   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8
2025-08-31T09:29:27,932   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8
2025-08-31T09:29:27,934   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p
2025-08-31T09:29:27,936   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p
2025-08-31T09:29:27,939   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol
2025-08-31T09:29:27,940   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol
2025-08-31T09:29:27,943   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:27,944   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp
2025-08-31T09:29:27,947   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T
2025-08-31T09:29:27,948   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T
2025-08-31T09:29:27,951   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p
2025-08-31T09:29:27,952   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p
2025-08-31T09:29:27,954   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:27,955   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:29:27,958   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p
2025-08-31T09:29:27,959   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p
2025-08-31T09:29:27,961   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p
2025-08-31T09:29:27,962   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p
2025-08-31T09:29:27,965   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:27,966   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p
2025-08-31T09:29:27,969   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o
2025-08-31T09:29:27,970   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o
2025-08-31T09:29:27,973   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4
2025-08-31T09:29:27,974   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4
2025-08-31T09:29:27,977   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:27,979   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh
2025-08-31T09:29:27,981   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p
2025-08-31T09:29:27,983   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p
2025-08-31T09:29:27,986   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s
2025-08-31T09:29:27,987   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s
2025-08-31T09:29:27,990   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:27,992   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:29:27,994   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3
2025-08-31T09:29:27,996   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3
2025-08-31T09:29:27,999   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp
2025-08-31T09:29:28,001   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp
2025-08-31T09:29:28,003   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A
2025-08-31T09:29:28,005   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A
2025-08-31T09:29:28,008   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C
2025-08-31T09:29:28,010   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C
2025-08-31T09:29:28,012   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6
2025-08-31T09:29:28,014   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6
2025-08-31T09:29:28,017   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2
2025-08-31T09:29:28,018   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2
2025-08-31T09:29:28,021   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp
2025-08-31T09:29:28,023   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp
2025-08-31T09:29:28,025   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2
2025-08-31T09:29:28,027   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2
2025-08-31T09:29:28,029   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p
2025-08-31T09:29:28,031   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p
2025-08-31T09:29:28,034   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:28,035   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p
2025-08-31T09:29:28,038   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl
2025-08-31T09:29:28,040   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl
2025-08-31T09:29:28,043   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p
2025-08-31T09:29:28,044   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p
2025-08-31T09:29:28,047   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol
2025-08-31T09:29:28,049   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol
2025-08-31T09:29:28,051   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp
2025-08-31T09:29:28,053   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp
2025-08-31T09:29:28,056   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3
2025-08-31T09:29:28,058   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3
2025-08-31T09:29:28,060   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:28,063   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:29:28,065   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:28,067   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:29:28,070   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:28,072   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:29:28,075   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:28,076   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:29:28,079   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:28,081   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:29:28,083   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:28,085   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:29:28,088   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:28,089   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:29:28,092   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:28,094   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2
2025-08-31T09:29:28,096   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:28,098   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:29:28,101   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:28,103   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:29:28,105   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:28,107   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:29:28,110   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:28,112   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:29:28,114   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:28,116   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:29:28,119   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:28,121   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:29:28,123   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:28,125   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:29:28,128   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:28,130   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:29:28,133   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:28,134   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:29:28,137   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:28,139   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:29:28,142   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:28,143   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:29:28,146   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:28,148   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:29:28,150   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:28,152   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:29:28,155   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:28,156   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:29:28,159   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:28,160   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:29:28,163   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:28,165   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:29:28,167   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:28,169   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:29:28,171   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:28,173   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:29:28,176   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:28,178   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:29:28,180   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:28,182   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:29:28,184   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:28,186   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:29:28,188   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:28,189   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:29:28,192   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:28,193   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:29:28,196   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:28,197   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:29:28,200   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:28,201   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:29:28,204   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:28,205   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2
2025-08-31T09:29:28,208   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:28,209   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:29:28,212   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:28,213   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:29:28,216   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:28,217   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:29:28,219   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:28,221   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:29:28,223   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:28,225   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:29:28,227   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:28,229   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:29:28,231   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:29:28,233   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
2025-08-31T09:29:28,236   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:28,237   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:29:28,240   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:28,241   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane
2025-08-31T09:29:28,244   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO
2025-08-31T09:29:28,245   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO
2025-08-31T09:29:28,248   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO
2025-08-31T09:29:28,249   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO
2025-08-31T09:29:28,252   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:28,253   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:29:28,255   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:28,257   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne
2025-08-31T09:29:28,259   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:28,260   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran
2025-08-31T09:29:28,263   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:29:28,264   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
2025-08-31T09:29:28,266   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:28,268   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:29:28,271   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2
2025-08-31T09:29:28,272   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2
2025-08-31T09:29:28,274   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2
2025-08-31T09:29:28,276   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2
2025-08-31T09:29:28,278   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:28,280   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene
2025-08-31T09:29:28,282   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:28,283   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:29:28,286   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:28,287   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:29:28,290   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:28,291   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:29:28,294   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:28,295   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:29:28,298   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:28,300   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:29:28,302   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol
2025-08-31T09:29:28,304   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol
2025-08-31T09:29:28,306   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:29:28,308   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
2025-08-31T09:29:28,310   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:28,311   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:29:28,314   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:28,315   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:29:28,318   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:28,319   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:29:28,322   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:28,323   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene
2025-08-31T09:29:28,325   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:29:28,327   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
2025-08-31T09:29:28,329   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:28,331   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne
2025-08-31T09:29:28,333   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:29:28,334   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
2025-08-31T09:29:28,337   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:29:28,338   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
2025-08-31T09:29:28,340   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:28,342   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:29:28,344   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene
2025-08-31T09:29:28,345   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene
2025-08-31T09:29:28,348   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:28,349   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:29:28,352   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:28,353   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:29:28,355   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:28,357   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:29:28,359   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:28,361   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:29:28,363   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:29:28,365   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
2025-08-31T09:29:28,367   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:29:28,369   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
2025-08-31T09:29:28,371   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:28,373   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:29:28,375   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:29:28,377   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
2025-08-31T09:29:28,379   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2
2025-08-31T09:29:28,380   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2
2025-08-31T09:29:28,383   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:28,384   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine
2025-08-31T09:29:28,387   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:28,388   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:29:28,391   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:28,392   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene
2025-08-31T09:29:28,394   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione
2025-08-31T09:29:28,396   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione
2025-08-31T09:29:28,398   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:28,400   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:29:28,402   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:28,404   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:29:28,406   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:28,408   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:29:28,410   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2
2025-08-31T09:29:28,412   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2
2025-08-31T09:29:28,414   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:28,415   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol
2025-08-31T09:29:28,418   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:28,419   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:29:28,422   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:28,423   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:29:28,426   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:28,427   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:29:28,429   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol
2025-08-31T09:29:28,431   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol
2025-08-31T09:29:28,433   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:29:28,435   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
2025-08-31T09:29:28,437   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:28,439   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:29:28,441   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne
2025-08-31T09:29:28,443   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne
2025-08-31T09:29:28,445   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:28,446   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH
2025-08-31T09:29:28,449   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:28,450   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane
2025-08-31T09:29:28,453   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol
2025-08-31T09:29:28,454   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol
2025-08-31T09:29:28,457   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:28,458   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:29:28,461   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:29:28,462   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
2025-08-31T09:29:28,465   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3
2025-08-31T09:29:28,466   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3
2025-08-31T09:29:28,469   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2
2025-08-31T09:29:28,470   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2
2025-08-31T09:29:28,472   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:28,474   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane
2025-08-31T09:29:28,476   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:28,477   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine
2025-08-31T09:29:28,480   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S
2025-08-31T09:29:28,481   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S
2025-08-31T09:29:28,484   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene
2025-08-31T09:29:28,485   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene
2025-08-31T09:29:28,488   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:28,489   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole
2025-08-31T09:29:28,492   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene
2025-08-31T09:29:28,493   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene
2025-08-31T09:29:28,496   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:28,497   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:29:28,500   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:28,501   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:29:28,504   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:28,505   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN
2025-08-31T09:29:28,508   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:28,509   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne
2025-08-31T09:29:28,511   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:28,513   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane
2025-08-31T09:29:28,516   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:28,517   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:29:28,520   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:28,521   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O
2025-08-31T09:29:28,524   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:28,525   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:29:28,527   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:28,529   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene
2025-08-31T09:29:28,531   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN
2025-08-31T09:29:28,533   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN
2025-08-31T09:29:28,535   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:28,536   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene
2025-08-31T09:29:28,539   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl
2025-08-31T09:29:28,540   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl
2025-08-31T09:29:28,543   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:28,544   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:29:28,546   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:28,548   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:29:28,551   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:28,552   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:29:28,554   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:28,556   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:29:28,558   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O
2025-08-31T09:29:28,560   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O
2025-08-31T09:29:28,562   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:28,563   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:29:28,566   creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:28,568   copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran
2025-08-31T09:29:28,570   creating build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,572   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,575   copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,577   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,580   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,583   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,585   copying xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,588   copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,591   copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,594   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,597   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,599   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,602   copying xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,607   copying xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,609   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,612   copying xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,614   copying xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,617   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,620   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,623   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,625   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,629   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,632   copying xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,635   copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,637   copying xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,640   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,643   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,646   copying xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,649   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,652   copying xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,654   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,657   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,660   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,663   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,665   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,668   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,671   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,673   copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,675   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,678   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,681   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,683   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,686   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,688   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,691   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,694   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,697   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,700   copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,702   copying xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,705   copying xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,709   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,712   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,714   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,717   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,720   copying xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,724   copying xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,727   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,730   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,732   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,735   copying xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,738   copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,741   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,744   copying xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,746   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,749   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,751   copying xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,754   copying xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,756   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,759   copying xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,761   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,764   copying xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,769   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,771   copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,774   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,778   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,781   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,783   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,786   copying xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,789   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:28,791   copying xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/lib/xcbm/MGCDB84_Dataset
2025-08-31T09:29:46,157   installing to build/bdist.linux-armv7l/wheel
2025-08-31T09:29:46,157   running install
2025-08-31T09:29:46,185   running install_lib
2025-08-31T09:29:46,191   creating build/bdist.linux-armv7l/wheel
2025-08-31T09:29:46,193   creating build/bdist.linux-armv7l/wheel/xcbm
2025-08-31T09:29:46,195   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset
2025-08-31T09:29:46,196   copying build/lib/xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset
2025-08-31T09:29:46,210   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,211   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,213   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,215   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,217   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,219   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,221   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,223   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,226   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,229   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,231   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,233   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,235   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,239   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,241   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,243   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,245   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,247   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,249   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,251   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,253   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,255   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,257   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,259   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,261   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,263   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,265   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,267   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,270   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,272   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,274   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,276   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,279   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,281   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,283   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,285   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,288   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,290   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,292   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,294   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,296   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,298   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,300   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,302   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,304   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,306   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,309   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,311   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,313   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,316   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,319   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,321   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,323   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,325   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,328   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,331   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,333   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,335   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,338   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,340   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,342   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,344   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,346   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,348   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,350   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,352   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,354   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,356   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,358   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,360   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,363   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,366   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,368   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,371   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,374   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,376   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,378   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,381   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,383   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-08-31T09:29:46,387   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries
2025-08-31T09:29:46,390   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,391   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
2025-08-31T09:29:46,394   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
2025-08-31T09:29:46,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,403   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
2025-08-31T09:29:46,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,422   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
2025-08-31T09:29:46,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,428   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
2025-08-31T09:29:46,430   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
2025-08-31T09:29:46,432   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
2025-08-31T09:29:46,434   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
2025-08-31T09:29:46,436   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
2025-08-31T09:29:46,438   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
2025-08-31T09:29:46,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,453   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
2025-08-31T09:29:46,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,461   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
2025-08-31T09:29:46,463   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
2025-08-31T09:29:46,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,472   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
2025-08-31T09:29:46,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,482   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
2025-08-31T09:29:46,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,494   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
2025-08-31T09:29:46,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,497   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
2025-08-31T09:29:46,499   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
2025-08-31T09:29:46,501   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
2025-08-31T09:29:46,503   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
2025-08-31T09:29:46,505   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
2025-08-31T09:29:46,507   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
2025-08-31T09:29:46,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,511   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
2025-08-31T09:29:46,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,516   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
2025-08-31T09:29:46,519   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
2025-08-31T09:29:46,521   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
2025-08-31T09:29:46,523   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
2025-08-31T09:29:46,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,531   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
2025-08-31T09:29:46,533   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
2025-08-31T09:29:46,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,537   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
2025-08-31T09:29:46,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,541   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
2025-08-31T09:29:46,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,546   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
2025-08-31T09:29:46,548   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
2025-08-31T09:29:46,550   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
2025-08-31T09:29:46,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,561   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
2025-08-31T09:29:46,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-08-31T09:29:46,565   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
2025-08-31T09:29:46,568   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:46,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:46,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:46,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:46,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:46,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:46,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:46,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:46,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-08-31T09:29:46,585   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-08-31T09:29:46,610   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-08-31T09:29:46,676   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-08-31T09:29:46,722   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,805   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,807   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,809   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-08-31T09:29:46,842   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6
2025-08-31T09:29:46,844   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:29:46,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:29:46,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:29:46,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:29:46,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:29:46,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:29:46,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:29:46,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:29:46,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-08-31T09:29:46,863   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,972   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-08-31T09:29:46,994   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-08-31T09:29:46,995   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
2025-08-31T09:29:46,997   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
2025-08-31T09:29:46,999   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
2025-08-31T09:29:47,001   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
2025-08-31T09:29:47,003   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
2025-08-31T09:29:47,005   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
2025-08-31T09:29:47,007   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
2025-08-31T09:29:47,010   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
2025-08-31T09:29:47,012   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
2025-08-31T09:29:47,014   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
2025-08-31T09:29:47,016   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
2025-08-31T09:29:47,018   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
2025-08-31T09:29:47,020   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
2025-08-31T09:29:47,022   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
2025-08-31T09:29:47,024   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
2025-08-31T09:29:47,026   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
2025-08-31T09:29:47,028   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
2025-08-31T09:29:47,030   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
2025-08-31T09:29:47,032   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
2025-08-31T09:29:47,034   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
2025-08-31T09:29:47,036   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
2025-08-31T09:29:47,038   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
2025-08-31T09:29:47,040   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
2025-08-31T09:29:47,042   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
2025-08-31T09:29:47,044   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
2025-08-31T09:29:47,046   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
2025-08-31T09:29:47,048   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
2025-08-31T09:29:47,050   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
2025-08-31T09:29:47,052   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
2025-08-31T09:29:47,054   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
2025-08-31T09:29:47,056   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
2025-08-31T09:29:47,058   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
2025-08-31T09:29:47,060   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
2025-08-31T09:29:47,062   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
2025-08-31T09:29:47,064   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
2025-08-31T09:29:47,066   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
2025-08-31T09:29:47,068   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
2025-08-31T09:29:47,070   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
2025-08-31T09:29:47,072   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
2025-08-31T09:29:47,074   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
2025-08-31T09:29:47,076   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
2025-08-31T09:29:47,079   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
2025-08-31T09:29:47,081   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
2025-08-31T09:29:47,083   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
2025-08-31T09:29:47,085   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
2025-08-31T09:29:47,087   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
2025-08-31T09:29:47,089   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
2025-08-31T09:29:47,091   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
2025-08-31T09:29:47,093   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
2025-08-31T09:29:47,095   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
2025-08-31T09:29:47,097   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
2025-08-31T09:29:47,099   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
2025-08-31T09:29:47,101   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
2025-08-31T09:29:47,103   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
2025-08-31T09:29:47,105   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
2025-08-31T09:29:47,107   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
2025-08-31T09:29:47,109   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
2025-08-31T09:29:47,111   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
2025-08-31T09:29:47,113   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
2025-08-31T09:29:47,115   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
2025-08-31T09:29:47,117   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
2025-08-31T09:29:47,119   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
2025-08-31T09:29:47,121   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
2025-08-31T09:29:47,123   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
2025-08-31T09:29:47,125   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
2025-08-31T09:29:47,127   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
2025-08-31T09:29:47,129   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
2025-08-31T09:29:47,131   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
2025-08-31T09:29:47,133   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
2025-08-31T09:29:47,135   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
2025-08-31T09:29:47,136   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
2025-08-31T09:29:47,138   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
2025-08-31T09:29:47,140   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
2025-08-31T09:29:47,142   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
2025-08-31T09:29:47,144   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
2025-08-31T09:29:47,146   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
2025-08-31T09:29:47,148   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
2025-08-31T09:29:47,150   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
2025-08-31T09:29:47,152   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
2025-08-31T09:29:47,154   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
2025-08-31T09:29:47,156   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
2025-08-31T09:29:47,159   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
2025-08-31T09:29:47,161   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
2025-08-31T09:29:47,163   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
2025-08-31T09:29:47,165   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
2025-08-31T09:29:47,167   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
2025-08-31T09:29:47,169   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
2025-08-31T09:29:47,171   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
2025-08-31T09:29:47,173   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
2025-08-31T09:29:47,175   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
2025-08-31T09:29:47,177   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
2025-08-31T09:29:47,179   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
2025-08-31T09:29:47,182   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
2025-08-31T09:29:47,184   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
2025-08-31T09:29:47,187   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
2025-08-31T09:29:47,190   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
2025-08-31T09:29:47,192   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
2025-08-31T09:29:47,194   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
2025-08-31T09:29:47,196   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
2025-08-31T09:29:47,198   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
2025-08-31T09:29:47,200   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
2025-08-31T09:29:47,202   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
2025-08-31T09:29:47,204   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
2025-08-31T09:29:47,206   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
2025-08-31T09:29:47,208   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
2025-08-31T09:29:47,210   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
2025-08-31T09:29:47,212   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
2025-08-31T09:29:47,214   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
2025-08-31T09:29:47,216   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
2025-08-31T09:29:47,218   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
2025-08-31T09:29:47,220   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
2025-08-31T09:29:47,222   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
2025-08-31T09:29:47,224   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
2025-08-31T09:29:47,226   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
2025-08-31T09:29:47,228   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
2025-08-31T09:29:47,230   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
2025-08-31T09:29:47,232   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
2025-08-31T09:29:47,234   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
2025-08-31T09:29:47,236   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
2025-08-31T09:29:47,238   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
2025-08-31T09:29:47,240   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
2025-08-31T09:29:47,242   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
2025-08-31T09:29:47,244   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
2025-08-31T09:29:47,246   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
2025-08-31T09:29:47,248   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
2025-08-31T09:29:47,250   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
2025-08-31T09:29:47,252   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
2025-08-31T09:29:47,254   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
2025-08-31T09:29:47,256   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
2025-08-31T09:29:47,259   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
2025-08-31T09:29:47,261   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
2025-08-31T09:29:47,263   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
2025-08-31T09:29:47,265   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
2025-08-31T09:29:47,267   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
2025-08-31T09:29:47,269   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
2025-08-31T09:29:47,271   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
2025-08-31T09:29:47,273   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
2025-08-31T09:29:47,275   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
2025-08-31T09:29:47,277   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
2025-08-31T09:29:47,279   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
2025-08-31T09:29:47,281   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
2025-08-31T09:29:47,283   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
2025-08-31T09:29:47,285   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
2025-08-31T09:29:47,287   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
2025-08-31T09:29:47,289   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
2025-08-31T09:29:47,291   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
2025-08-31T09:29:47,293   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
2025-08-31T09:29:47,295   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
2025-08-31T09:29:47,296   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
2025-08-31T09:29:47,299   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
2025-08-31T09:29:47,301   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
2025-08-31T09:29:47,303   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
2025-08-31T09:29:47,304   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
2025-08-31T09:29:47,306   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
2025-08-31T09:29:47,308   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
2025-08-31T09:29:47,310   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
2025-08-31T09:29:47,312   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
2025-08-31T09:29:47,314   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
2025-08-31T09:29:47,316   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
2025-08-31T09:29:47,318   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
2025-08-31T09:29:47,320   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
2025-08-31T09:29:47,322   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
2025-08-31T09:29:47,324   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
2025-08-31T09:29:47,326   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
2025-08-31T09:29:47,328   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
2025-08-31T09:29:47,330   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
2025-08-31T09:29:47,332   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
2025-08-31T09:29:47,335   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
2025-08-31T09:29:47,337   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
2025-08-31T09:29:47,339   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
2025-08-31T09:29:47,341   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
2025-08-31T09:29:47,343   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
2025-08-31T09:29:47,345   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
2025-08-31T09:29:47,347   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
2025-08-31T09:29:47,349   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
2025-08-31T09:29:47,350   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
2025-08-31T09:29:47,352   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
2025-08-31T09:29:47,354   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
2025-08-31T09:29:47,356   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
2025-08-31T09:29:47,358   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
2025-08-31T09:29:47,361   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
2025-08-31T09:29:47,363   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
2025-08-31T09:29:47,365   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
2025-08-31T09:29:47,367   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
2025-08-31T09:29:47,369   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
2025-08-31T09:29:47,371   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
2025-08-31T09:29:47,373   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
2025-08-31T09:29:47,375   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
2025-08-31T09:29:47,377   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
2025-08-31T09:29:47,379   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
2025-08-31T09:29:47,381   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
2025-08-31T09:29:47,383   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
2025-08-31T09:29:47,385   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
2025-08-31T09:29:47,387   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
2025-08-31T09:29:47,389   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
2025-08-31T09:29:47,391   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
2025-08-31T09:29:47,393   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
2025-08-31T09:29:47,395   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
2025-08-31T09:29:47,397   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
2025-08-31T09:29:47,399   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
2025-08-31T09:29:47,401   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
2025-08-31T09:29:47,403   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
2025-08-31T09:29:47,405   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
2025-08-31T09:29:47,407   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
2025-08-31T09:29:47,409   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
2025-08-31T09:29:47,411   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
2025-08-31T09:29:47,413   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
2025-08-31T09:29:47,415   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
2025-08-31T09:29:47,417   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
2025-08-31T09:29:47,419   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
2025-08-31T09:29:47,421   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
2025-08-31T09:29:47,423   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
2025-08-31T09:29:47,425   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
2025-08-31T09:29:47,427   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
2025-08-31T09:29:47,429   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
2025-08-31T09:29:47,431   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
2025-08-31T09:29:47,433   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
2025-08-31T09:29:47,435   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
2025-08-31T09:29:47,437   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
2025-08-31T09:29:47,439   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
2025-08-31T09:29:47,441   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
2025-08-31T09:29:47,443   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
2025-08-31T09:29:47,445   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
2025-08-31T09:29:47,447   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
2025-08-31T09:29:47,449   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
2025-08-31T09:29:47,451   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
2025-08-31T09:29:47,453   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
2025-08-31T09:29:47,455   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
2025-08-31T09:29:47,457   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
2025-08-31T09:29:47,459   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
2025-08-31T09:29:47,461   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
2025-08-31T09:29:47,463   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
2025-08-31T09:29:47,466   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
2025-08-31T09:29:47,468   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
2025-08-31T09:29:47,470   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
2025-08-31T09:29:47,472   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
2025-08-31T09:29:47,474   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
2025-08-31T09:29:47,477   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
2025-08-31T09:29:47,479   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
2025-08-31T09:29:47,481   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
2025-08-31T09:29:47,483   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
2025-08-31T09:29:47,485   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
2025-08-31T09:29:47,487   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
2025-08-31T09:29:47,489   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
2025-08-31T09:29:47,491   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
2025-08-31T09:29:47,492   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
2025-08-31T09:29:47,494   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
2025-08-31T09:29:47,496   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
2025-08-31T09:29:47,498   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
2025-08-31T09:29:47,500   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
2025-08-31T09:29:47,502   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
2025-08-31T09:29:47,504   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
2025-08-31T09:29:47,506   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
2025-08-31T09:29:47,508   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
2025-08-31T09:29:47,510   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
2025-08-31T09:29:47,512   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
2025-08-31T09:29:47,514   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
2025-08-31T09:29:47,516   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
2025-08-31T09:29:47,518   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
2025-08-31T09:29:47,520   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
2025-08-31T09:29:47,522   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
2025-08-31T09:29:47,524   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
2025-08-31T09:29:47,526   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
2025-08-31T09:29:47,528   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
2025-08-31T09:29:47,530   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
2025-08-31T09:29:47,532   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
2025-08-31T09:29:47,534   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
2025-08-31T09:29:47,536   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
2025-08-31T09:29:47,538   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
2025-08-31T09:29:47,540   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
2025-08-31T09:29:47,542   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
2025-08-31T09:29:47,545   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
2025-08-31T09:29:47,549   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
2025-08-31T09:29:47,551   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
2025-08-31T09:29:47,554   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
2025-08-31T09:29:47,556   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
2025-08-31T09:29:47,558   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
2025-08-31T09:29:47,560   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
2025-08-31T09:29:47,562   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
2025-08-31T09:29:47,564   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
2025-08-31T09:29:47,566   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
2025-08-31T09:29:47,568   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
2025-08-31T09:29:47,570   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
2025-08-31T09:29:47,572   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
2025-08-31T09:29:47,574   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
2025-08-31T09:29:47,576   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
2025-08-31T09:29:47,578   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
2025-08-31T09:29:47,580   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
2025-08-31T09:29:47,582   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
2025-08-31T09:29:47,584   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
2025-08-31T09:29:47,586   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
2025-08-31T09:29:47,588   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
2025-08-31T09:29:47,590   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
2025-08-31T09:29:47,592   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
2025-08-31T09:29:47,595   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-08-31T09:29:47,675   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:47,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:47,678   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
2025-08-31T09:29:47,680   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
2025-08-31T09:29:47,682   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
2025-08-31T09:29:47,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:47,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:47,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:47,691   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
2025-08-31T09:29:47,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:47,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:47,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:47,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
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2025-08-31T09:29:48,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,055   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
2025-08-31T09:29:48,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,059   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
2025-08-31T09:29:48,061   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
2025-08-31T09:29:48,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,068   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
2025-08-31T09:29:48,070   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
2025-08-31T09:29:48,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-08-31T09:29:48,087   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
2025-08-31T09:29:48,090   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
2025-08-31T09:29:48,092   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
2025-08-31T09:29:48,095   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-08-31T09:29:48,173   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-08-31T09:29:48,209   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-08-31T09:29:48,269   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-08-31T09:29:48,270   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
2025-08-31T09:29:48,272   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
2025-08-31T09:29:48,274   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
2025-08-31T09:29:48,276   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
2025-08-31T09:29:48,279   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
2025-08-31T09:29:48,281   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
2025-08-31T09:29:48,283   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
2025-08-31T09:29:48,285   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
2025-08-31T09:29:48,287   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
2025-08-31T09:29:48,289   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
2025-08-31T09:29:48,291   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
2025-08-31T09:29:48,293   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
2025-08-31T09:29:48,295   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
2025-08-31T09:29:48,297   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
2025-08-31T09:29:48,299   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
2025-08-31T09:29:48,301   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
2025-08-31T09:29:48,302   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
2025-08-31T09:29:48,304   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
2025-08-31T09:29:48,306   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
2025-08-31T09:29:48,308   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
2025-08-31T09:29:48,310   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
2025-08-31T09:29:48,312   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
2025-08-31T09:29:48,314   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
2025-08-31T09:29:48,316   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
2025-08-31T09:29:48,318   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
2025-08-31T09:29:48,320   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
2025-08-31T09:29:48,323   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
2025-08-31T09:29:48,325   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
2025-08-31T09:29:48,327   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
2025-08-31T09:29:48,329   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
2025-08-31T09:29:48,331   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
2025-08-31T09:29:48,333   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
2025-08-31T09:29:48,335   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
2025-08-31T09:29:48,337   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
2025-08-31T09:29:48,339   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
2025-08-31T09:29:48,341   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
2025-08-31T09:29:48,343   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
2025-08-31T09:29:48,345   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
2025-08-31T09:29:48,347   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
2025-08-31T09:29:48,350   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
2025-08-31T09:29:48,352   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
2025-08-31T09:29:48,354   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
2025-08-31T09:29:48,356   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
2025-08-31T09:29:48,358   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
2025-08-31T09:29:48,360   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
2025-08-31T09:29:48,362   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
2025-08-31T09:29:48,364   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
2025-08-31T09:29:48,366   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
2025-08-31T09:29:48,368   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
2025-08-31T09:29:48,370   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
2025-08-31T09:29:48,372   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
2025-08-31T09:29:48,374   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
2025-08-31T09:29:48,375   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
2025-08-31T09:29:48,378   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
2025-08-31T09:29:48,379   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
2025-08-31T09:29:48,382   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
2025-08-31T09:29:48,383   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
2025-08-31T09:29:48,385   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
2025-08-31T09:29:48,387   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
2025-08-31T09:29:48,389   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
2025-08-31T09:29:48,391   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
2025-08-31T09:29:48,393   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
2025-08-31T09:29:48,395   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
2025-08-31T09:29:48,397   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
2025-08-31T09:29:48,399   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
2025-08-31T09:29:48,401   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
2025-08-31T09:29:48,403   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
2025-08-31T09:29:48,405   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
2025-08-31T09:29:48,407   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
2025-08-31T09:29:48,413   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
2025-08-31T09:29:48,414   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
2025-08-31T09:29:48,416   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
2025-08-31T09:29:48,418   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
2025-08-31T09:29:48,420   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
2025-08-31T09:29:48,422   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
2025-08-31T09:29:48,424   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
2025-08-31T09:29:48,426   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
2025-08-31T09:29:48,427   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
2025-08-31T09:29:48,429   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
2025-08-31T09:29:48,431   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
2025-08-31T09:29:48,433   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
2025-08-31T09:29:48,435   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
2025-08-31T09:29:48,437   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
2025-08-31T09:29:48,439   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
2025-08-31T09:29:48,441   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
2025-08-31T09:29:48,443   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
2025-08-31T09:29:48,445   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
2025-08-31T09:29:48,447   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
2025-08-31T09:29:48,449   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
2025-08-31T09:29:48,451   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
2025-08-31T09:29:48,453   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
2025-08-31T09:29:48,455   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
2025-08-31T09:29:48,457   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
2025-08-31T09:29:48,459   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
2025-08-31T09:29:48,461   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
2025-08-31T09:29:48,463   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
2025-08-31T09:29:48,465   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
2025-08-31T09:29:48,466   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
2025-08-31T09:29:48,468   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
2025-08-31T09:29:48,470   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
2025-08-31T09:29:48,472   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
2025-08-31T09:29:48,474   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
2025-08-31T09:29:48,476   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
2025-08-31T09:29:48,478   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
2025-08-31T09:29:48,480   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
2025-08-31T09:29:48,482   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
2025-08-31T09:29:48,484   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
2025-08-31T09:29:48,486   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
2025-08-31T09:29:48,487   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
2025-08-31T09:29:48,490   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
2025-08-31T09:29:48,491   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
2025-08-31T09:29:48,493   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
2025-08-31T09:29:48,495   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
2025-08-31T09:29:48,497   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
2025-08-31T09:29:48,499   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
2025-08-31T09:29:48,501   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
2025-08-31T09:29:48,503   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
2025-08-31T09:29:48,505   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
2025-08-31T09:29:48,507   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
2025-08-31T09:29:48,509   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
2025-08-31T09:29:48,511   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
2025-08-31T09:29:48,513   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
2025-08-31T09:29:48,515   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
2025-08-31T09:29:48,517   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
2025-08-31T09:29:48,519   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
2025-08-31T09:29:48,521   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
2025-08-31T09:29:48,523   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
2025-08-31T09:29:48,526   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
2025-08-31T09:29:48,528   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
2025-08-31T09:29:48,530   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
2025-08-31T09:29:48,532   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
2025-08-31T09:29:48,534   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
2025-08-31T09:29:48,536   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
2025-08-31T09:29:48,538   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
2025-08-31T09:29:48,540   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
2025-08-31T09:29:48,541   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
2025-08-31T09:29:48,543   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
2025-08-31T09:29:48,545   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
2025-08-31T09:29:48,547   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
2025-08-31T09:29:48,549   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
2025-08-31T09:29:48,551   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
2025-08-31T09:29:48,553   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
2025-08-31T09:29:48,555   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
2025-08-31T09:29:48,557   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
2025-08-31T09:29:48,559   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
2025-08-31T09:29:48,561   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
2025-08-31T09:29:48,563   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
2025-08-31T09:29:48,565   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
2025-08-31T09:29:48,567   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
2025-08-31T09:29:48,569   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
2025-08-31T09:29:48,571   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
2025-08-31T09:29:48,573   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
2025-08-31T09:29:48,575   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
2025-08-31T09:29:48,578   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
2025-08-31T09:29:48,580   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
2025-08-31T09:29:48,582   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
2025-08-31T09:29:48,584   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
2025-08-31T09:29:48,586   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
2025-08-31T09:29:48,588   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
2025-08-31T09:29:48,590   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
2025-08-31T09:29:48,592   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
2025-08-31T09:29:48,594   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
2025-08-31T09:29:48,596   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
2025-08-31T09:29:48,599   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
2025-08-31T09:29:48,601   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
2025-08-31T09:29:48,603   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
2025-08-31T09:29:48,605   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
2025-08-31T09:29:48,607   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
2025-08-31T09:29:48,609   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
2025-08-31T09:29:48,611   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
2025-08-31T09:29:48,613   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
2025-08-31T09:29:48,615   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
2025-08-31T09:29:48,617   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
2025-08-31T09:29:48,619   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
2025-08-31T09:29:48,621   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
2025-08-31T09:29:48,623   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
2025-08-31T09:29:48,625   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
2025-08-31T09:29:48,627   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
2025-08-31T09:29:48,629   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
2025-08-31T09:29:48,631   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
2025-08-31T09:29:48,633   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
2025-08-31T09:29:48,635   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
2025-08-31T09:29:48,638   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
2025-08-31T09:29:48,639   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
2025-08-31T09:29:48,641   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
2025-08-31T09:29:48,643   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
2025-08-31T09:29:48,645   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
2025-08-31T09:29:48,647   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
2025-08-31T09:29:48,649   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
2025-08-31T09:29:48,651   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
2025-08-31T09:29:48,653   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
2025-08-31T09:29:48,655   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
2025-08-31T09:29:48,658   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
2025-08-31T09:29:48,660   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
2025-08-31T09:29:48,662   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
2025-08-31T09:29:48,664   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
2025-08-31T09:29:48,666   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
2025-08-31T09:29:48,668   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
2025-08-31T09:29:48,670   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
2025-08-31T09:29:48,672   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
2025-08-31T09:29:48,674   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
2025-08-31T09:29:48,677   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
2025-08-31T09:29:48,678   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
2025-08-31T09:29:48,680   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
2025-08-31T09:29:48,682   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
2025-08-31T09:29:48,684   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
2025-08-31T09:29:48,686   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
2025-08-31T09:29:48,689   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
2025-08-31T09:29:48,691   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
2025-08-31T09:29:48,693   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
2025-08-31T09:29:48,695   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
2025-08-31T09:29:48,697   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
2025-08-31T09:29:48,699   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
2025-08-31T09:29:48,701   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
2025-08-31T09:29:48,703   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
2025-08-31T09:29:48,705   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
2025-08-31T09:29:48,707   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
2025-08-31T09:29:48,709   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
2025-08-31T09:29:48,711   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
2025-08-31T09:29:48,713   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
2025-08-31T09:29:48,716   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
2025-08-31T09:29:48,718   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
2025-08-31T09:29:48,720   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
2025-08-31T09:29:48,722   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
2025-08-31T09:29:48,724   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
2025-08-31T09:29:48,726   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
2025-08-31T09:29:48,729   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
2025-08-31T09:29:48,731   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
2025-08-31T09:29:48,733   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
2025-08-31T09:29:48,736   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
2025-08-31T09:29:48,738   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
2025-08-31T09:29:48,740   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
2025-08-31T09:29:48,742   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
2025-08-31T09:29:48,744   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
2025-08-31T09:29:48,746   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
2025-08-31T09:29:48,748   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
2025-08-31T09:29:48,750   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
2025-08-31T09:29:48,752   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
2025-08-31T09:29:48,754   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
2025-08-31T09:29:48,756   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
2025-08-31T09:29:48,758   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
2025-08-31T09:29:48,760   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
2025-08-31T09:29:48,762   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
2025-08-31T09:29:48,765   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
2025-08-31T09:29:48,767   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
2025-08-31T09:29:48,769   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
2025-08-31T09:29:48,771   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
2025-08-31T09:29:48,773   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
2025-08-31T09:29:48,775   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
2025-08-31T09:29:48,777   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
2025-08-31T09:29:48,779   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
2025-08-31T09:29:48,781   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
2025-08-31T09:29:48,783   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
2025-08-31T09:29:48,785   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
2025-08-31T09:29:48,787   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
2025-08-31T09:29:48,790   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
2025-08-31T09:29:48,791   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
2025-08-31T09:29:48,793   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
2025-08-31T09:29:48,795   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
2025-08-31T09:29:48,797   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
2025-08-31T09:29:48,799   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
2025-08-31T09:29:48,801   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
2025-08-31T09:29:48,803   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
2025-08-31T09:29:48,805   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
2025-08-31T09:29:48,807   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
2025-08-31T09:29:48,809   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
2025-08-31T09:29:48,812   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
2025-08-31T09:29:48,814   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
2025-08-31T09:29:48,816   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
2025-08-31T09:29:48,818   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
2025-08-31T09:29:48,820   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
2025-08-31T09:29:48,822   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
2025-08-31T09:29:48,824   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
2025-08-31T09:29:48,827   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
2025-08-31T09:29:48,829   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
2025-08-31T09:29:48,831   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
2025-08-31T09:29:48,835   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-08-31T09:29:48,906   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-08-31T09:29:48,971   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,972   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:48,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:49,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:49,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:49,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:49,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-08-31T09:29:49,017   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-08-31T09:29:49,019   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
2025-08-31T09:29:49,021   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
2025-08-31T09:29:49,023   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
2025-08-31T09:29:49,026   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
2025-08-31T09:29:49,028   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
2025-08-31T09:29:49,030   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
2025-08-31T09:29:49,032   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
2025-08-31T09:29:49,034   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
2025-08-31T09:29:49,036   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
2025-08-31T09:29:49,038   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
2025-08-31T09:29:49,040   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
2025-08-31T09:29:49,042   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
2025-08-31T09:29:49,045   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
2025-08-31T09:29:49,047   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
2025-08-31T09:29:49,049   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
2025-08-31T09:29:49,051   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
2025-08-31T09:29:49,053   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
2025-08-31T09:29:49,055   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
2025-08-31T09:29:49,057   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
2025-08-31T09:29:49,059   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
2025-08-31T09:29:49,061   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
2025-08-31T09:29:49,064   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
2025-08-31T09:29:49,066   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
2025-08-31T09:29:49,068   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
2025-08-31T09:29:49,070   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
2025-08-31T09:29:49,072   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
2025-08-31T09:29:49,074   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
2025-08-31T09:29:49,076   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
2025-08-31T09:29:49,078   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
2025-08-31T09:29:49,080   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
2025-08-31T09:29:49,082   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
2025-08-31T09:29:49,084   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
2025-08-31T09:29:49,086   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
2025-08-31T09:29:49,088   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
2025-08-31T09:29:49,090   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
2025-08-31T09:29:49,093   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
2025-08-31T09:29:49,095   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
2025-08-31T09:29:49,097   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
2025-08-31T09:29:49,099   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
2025-08-31T09:29:49,101   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
2025-08-31T09:29:49,103   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
2025-08-31T09:29:49,105   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
2025-08-31T09:29:49,107   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
2025-08-31T09:29:49,109   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
2025-08-31T09:29:49,111   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
2025-08-31T09:29:49,113   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
2025-08-31T09:29:49,115   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
2025-08-31T09:29:49,330   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
2025-08-31T09:29:49,333   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
2025-08-31T09:29:49,336   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
2025-08-31T09:29:49,339   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
2025-08-31T09:29:49,342   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
2025-08-31T09:29:49,345   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
2025-08-31T09:29:49,348   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
2025-08-31T09:29:49,351   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
2025-08-31T09:29:49,353   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
2025-08-31T09:29:49,355   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
2025-08-31T09:29:49,357   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
2025-08-31T09:29:49,359   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
2025-08-31T09:29:49,361   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
2025-08-31T09:29:49,363   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
2025-08-31T09:29:49,365   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
2025-08-31T09:29:49,367   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
2025-08-31T09:29:49,369   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
2025-08-31T09:29:49,371   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
2025-08-31T09:29:49,374   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
2025-08-31T09:29:49,378   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
2025-08-31T09:29:49,380   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
2025-08-31T09:29:49,382   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
2025-08-31T09:29:49,384   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
2025-08-31T09:29:49,386   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
2025-08-31T09:29:49,388   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
2025-08-31T09:29:49,390   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
2025-08-31T09:29:49,392   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
2025-08-31T09:29:49,394   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
2025-08-31T09:29:49,396   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
2025-08-31T09:29:49,398   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
2025-08-31T09:29:49,400   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
2025-08-31T09:29:49,402   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
2025-08-31T09:29:49,405   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
2025-08-31T09:29:49,407   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
2025-08-31T09:29:49,409   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
2025-08-31T09:29:49,411   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
2025-08-31T09:29:49,413   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
2025-08-31T09:29:49,415   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
2025-08-31T09:29:49,417   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
2025-08-31T09:29:49,419   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
2025-08-31T09:29:49,421   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
2025-08-31T09:29:49,423   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
2025-08-31T09:29:49,425   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
2025-08-31T09:29:49,427   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
2025-08-31T09:29:49,429   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
2025-08-31T09:29:49,431   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
2025-08-31T09:29:49,433   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
2025-08-31T09:29:49,435   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
2025-08-31T09:29:49,437   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
2025-08-31T09:29:49,439   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
2025-08-31T09:29:49,441   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
2025-08-31T09:29:49,443   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
2025-08-31T09:29:49,445   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
2025-08-31T09:29:49,447   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
2025-08-31T09:29:49,449   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
2025-08-31T09:29:49,452   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
2025-08-31T09:29:49,454   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
2025-08-31T09:29:49,456   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
2025-08-31T09:29:49,458   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
2025-08-31T09:29:49,460   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
2025-08-31T09:29:49,462   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
2025-08-31T09:29:49,464   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
2025-08-31T09:29:49,466   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
2025-08-31T09:29:49,468   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
2025-08-31T09:29:49,470   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
2025-08-31T09:29:49,472   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
2025-08-31T09:29:49,475   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
2025-08-31T09:29:49,477   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
2025-08-31T09:29:49,479   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
2025-08-31T09:29:49,481   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
2025-08-31T09:29:49,483   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
2025-08-31T09:29:49,485   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
2025-08-31T09:29:49,487   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
2025-08-31T09:29:49,490   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
2025-08-31T09:29:49,492   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
2025-08-31T09:29:49,494   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
2025-08-31T09:29:49,496   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
2025-08-31T09:29:49,498   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
2025-08-31T09:29:49,500   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
2025-08-31T09:29:49,502   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
2025-08-31T09:29:49,504   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
2025-08-31T09:29:49,506   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
2025-08-31T09:29:49,508   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
2025-08-31T09:29:49,510   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
2025-08-31T09:29:49,512   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
2025-08-31T09:29:49,515   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
2025-08-31T09:29:49,517   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
2025-08-31T09:29:49,519   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
2025-08-31T09:29:49,521   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
2025-08-31T09:29:49,523   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
2025-08-31T09:29:49,525   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
2025-08-31T09:29:49,527   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
2025-08-31T09:29:49,529   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
2025-08-31T09:29:49,531   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
2025-08-31T09:29:49,533   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
2025-08-31T09:29:49,535   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
2025-08-31T09:29:49,537   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
2025-08-31T09:29:49,539   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
2025-08-31T09:29:49,541   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
2025-08-31T09:29:49,543   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
2025-08-31T09:29:49,546   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
2025-08-31T09:29:49,548   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
2025-08-31T09:29:49,550   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
2025-08-31T09:29:49,552   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
2025-08-31T09:29:49,554   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
2025-08-31T09:29:49,556   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
2025-08-31T09:29:49,558   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
2025-08-31T09:29:49,560   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
2025-08-31T09:29:49,562   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
2025-08-31T09:29:49,564   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
2025-08-31T09:29:49,566   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
2025-08-31T09:29:49,568   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
2025-08-31T09:29:49,570   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
2025-08-31T09:29:49,572   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
2025-08-31T09:29:49,574   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
2025-08-31T09:29:49,576   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
2025-08-31T09:29:49,578   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
2025-08-31T09:29:49,580   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
2025-08-31T09:29:49,582   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
2025-08-31T09:29:49,584   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
2025-08-31T09:29:49,586   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
2025-08-31T09:29:49,588   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
2025-08-31T09:29:49,590   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
2025-08-31T09:29:49,592   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
2025-08-31T09:29:49,594   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
2025-08-31T09:29:49,596   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
2025-08-31T09:29:49,598   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
2025-08-31T09:29:49,600   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
2025-08-31T09:29:49,602   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
2025-08-31T09:29:49,604   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
2025-08-31T09:29:49,606   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
2025-08-31T09:29:49,608   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
2025-08-31T09:29:49,610   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
2025-08-31T09:29:49,612   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
2025-08-31T09:29:49,614   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
2025-08-31T09:29:49,616   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
2025-08-31T09:29:49,618   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
2025-08-31T09:29:49,620   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
2025-08-31T09:29:49,622   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
2025-08-31T09:29:49,625   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
2025-08-31T09:29:49,627   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
2025-08-31T09:29:49,629   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
2025-08-31T09:29:49,631   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
2025-08-31T09:29:49,633   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
2025-08-31T09:29:49,635   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
2025-08-31T09:29:49,638   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
2025-08-31T09:29:49,640   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
2025-08-31T09:29:49,642   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
2025-08-31T09:29:49,644   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
2025-08-31T09:29:49,646   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
2025-08-31T09:29:49,648   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
2025-08-31T09:29:49,650   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
2025-08-31T09:29:49,651   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
2025-08-31T09:29:49,653   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
2025-08-31T09:29:49,655   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
2025-08-31T09:29:49,658   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
2025-08-31T09:29:49,660   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
2025-08-31T09:29:49,662   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
2025-08-31T09:29:49,664   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
2025-08-31T09:29:49,666   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
2025-08-31T09:29:49,668   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
2025-08-31T09:29:49,670   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
2025-08-31T09:29:49,672   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
2025-08-31T09:29:49,674   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
2025-08-31T09:29:49,677   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
2025-08-31T09:29:49,679   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
2025-08-31T09:29:49,681   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
2025-08-31T09:29:49,683   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
2025-08-31T09:29:49,685   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
2025-08-31T09:29:49,687   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
2025-08-31T09:29:49,689   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
2025-08-31T09:29:49,691   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
2025-08-31T09:29:49,693   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
2025-08-31T09:29:49,695   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
2025-08-31T09:29:49,697   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
2025-08-31T09:29:49,699   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
2025-08-31T09:29:49,701   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
2025-08-31T09:29:49,703   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
2025-08-31T09:29:49,705   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
2025-08-31T09:29:49,707   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
2025-08-31T09:29:49,709   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
2025-08-31T09:29:49,711   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
2025-08-31T09:29:49,713   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
2025-08-31T09:29:49,715   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
2025-08-31T09:29:49,717   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
2025-08-31T09:29:49,719   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
2025-08-31T09:29:49,721   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
2025-08-31T09:29:49,723   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
2025-08-31T09:29:49,725   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
2025-08-31T09:29:49,726   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
2025-08-31T09:29:49,728   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
2025-08-31T09:29:49,730   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
2025-08-31T09:29:49,732   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
2025-08-31T09:29:49,734   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
2025-08-31T09:29:49,736   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
2025-08-31T09:29:49,738   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
2025-08-31T09:29:49,740   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
2025-08-31T09:29:49,742   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
2025-08-31T09:29:49,744   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
2025-08-31T09:29:49,746   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
2025-08-31T09:29:49,748   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
2025-08-31T09:29:49,750   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
2025-08-31T09:29:49,752   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
2025-08-31T09:29:49,754   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
2025-08-31T09:29:49,756   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
2025-08-31T09:29:49,758   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
2025-08-31T09:29:49,760   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
2025-08-31T09:29:49,762   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
2025-08-31T09:29:49,764   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
2025-08-31T09:29:49,766   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
2025-08-31T09:29:49,768   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
2025-08-31T09:29:49,770   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
2025-08-31T09:29:49,772   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
2025-08-31T09:29:49,774   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
2025-08-31T09:29:49,776   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
2025-08-31T09:29:49,778   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
2025-08-31T09:29:49,780   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
2025-08-31T09:29:49,782   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
2025-08-31T09:29:49,784   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
2025-08-31T09:29:49,786   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
2025-08-31T09:29:49,788   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
2025-08-31T09:29:49,790   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
2025-08-31T09:29:49,793   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
2025-08-31T09:29:49,794   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
2025-08-31T09:29:49,796   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
2025-08-31T09:29:49,798   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
2025-08-31T09:29:49,800   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
2025-08-31T09:29:49,803   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
2025-08-31T09:29:49,805   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
2025-08-31T09:29:49,806   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
2025-08-31T09:29:49,808   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
2025-08-31T09:29:49,810   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
2025-08-31T09:29:49,812   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
2025-08-31T09:29:49,814   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
2025-08-31T09:29:49,816   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
2025-08-31T09:29:49,818   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
2025-08-31T09:29:49,820   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
2025-08-31T09:29:49,822   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
2025-08-31T09:29:49,824   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
2025-08-31T09:29:49,826   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
2025-08-31T09:29:49,828   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
2025-08-31T09:29:49,830   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
2025-08-31T09:29:49,832   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
2025-08-31T09:29:49,835   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
2025-08-31T09:29:49,836   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
2025-08-31T09:29:49,839   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
2025-08-31T09:29:49,841   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
2025-08-31T09:29:49,843   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
2025-08-31T09:29:49,845   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
2025-08-31T09:29:49,847   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
2025-08-31T09:29:49,849   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
2025-08-31T09:29:49,851   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
2025-08-31T09:29:49,853   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
2025-08-31T09:29:49,855   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
2025-08-31T09:29:49,857   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
2025-08-31T09:29:49,859   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
2025-08-31T09:29:49,860   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
2025-08-31T09:29:49,862   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
2025-08-31T09:29:49,864   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
2025-08-31T09:29:49,866   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
2025-08-31T09:29:49,868   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
2025-08-31T09:29:49,870   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
2025-08-31T09:29:49,872   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
2025-08-31T09:29:49,874   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
2025-08-31T09:29:49,876   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
2025-08-31T09:29:49,878   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
2025-08-31T09:29:49,881   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
2025-08-31T09:29:49,883   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
2025-08-31T09:29:49,885   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
2025-08-31T09:29:49,887   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
2025-08-31T09:29:49,890   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
2025-08-31T09:29:49,892   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
2025-08-31T09:29:49,897   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
2025-08-31T09:29:49,899   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
2025-08-31T09:29:49,901   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
2025-08-31T09:29:49,903   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
2025-08-31T09:29:49,905   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
2025-08-31T09:29:49,908   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
2025-08-31T09:29:49,910   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
2025-08-31T09:29:49,912   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
2025-08-31T09:29:49,914   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
2025-08-31T09:29:49,917   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
2025-08-31T09:29:49,919   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
2025-08-31T09:29:49,921   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
2025-08-31T09:29:49,923   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
2025-08-31T09:29:49,925   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
2025-08-31T09:29:49,927   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
2025-08-31T09:29:49,930   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
2025-08-31T09:29:49,932   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
2025-08-31T09:29:49,934   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
2025-08-31T09:29:49,936   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
2025-08-31T09:29:49,938   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
2025-08-31T09:29:49,940   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
2025-08-31T09:29:49,942   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
2025-08-31T09:29:49,944   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
2025-08-31T09:29:49,946   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
2025-08-31T09:29:49,948   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
2025-08-31T09:29:49,950   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
2025-08-31T09:29:49,952   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
2025-08-31T09:29:49,954   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
2025-08-31T09:29:49,956   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
2025-08-31T09:29:49,958   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
2025-08-31T09:29:49,960   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
2025-08-31T09:29:49,961   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
2025-08-31T09:29:49,963   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
2025-08-31T09:29:49,965   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
2025-08-31T09:29:49,967   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
2025-08-31T09:29:49,969   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
2025-08-31T09:29:49,971   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
2025-08-31T09:29:49,973   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
2025-08-31T09:29:49,975   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
2025-08-31T09:29:49,977   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
2025-08-31T09:29:49,979   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
2025-08-31T09:29:49,981   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
2025-08-31T09:29:49,983   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
2025-08-31T09:29:49,985   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
2025-08-31T09:29:49,987   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
2025-08-31T09:29:49,989   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
2025-08-31T09:29:49,991   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
2025-08-31T09:29:49,993   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
2025-08-31T09:29:49,995   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
2025-08-31T09:29:49,997   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
2025-08-31T09:29:49,999   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
2025-08-31T09:29:50,001   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
2025-08-31T09:29:50,003   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
2025-08-31T09:29:50,005   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
2025-08-31T09:29:50,007   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
2025-08-31T09:29:50,009   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
2025-08-31T09:29:50,011   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
2025-08-31T09:29:50,013   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
2025-08-31T09:29:50,016   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
2025-08-31T09:29:50,018   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
2025-08-31T09:29:50,020   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
2025-08-31T09:29:50,021   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
2025-08-31T09:29:50,023   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
2025-08-31T09:29:50,025   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
2025-08-31T09:29:50,027   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
2025-08-31T09:29:50,029   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
2025-08-31T09:29:50,031   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
2025-08-31T09:29:50,033   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
2025-08-31T09:29:50,035   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
2025-08-31T09:29:50,037   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
2025-08-31T09:29:50,039   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
2025-08-31T09:29:50,041   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
2025-08-31T09:29:50,043   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
2025-08-31T09:29:50,045   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
2025-08-31T09:29:50,047   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
2025-08-31T09:29:50,049   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
2025-08-31T09:29:50,051   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
2025-08-31T09:29:50,053   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
2025-08-31T09:29:50,055   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
2025-08-31T09:29:50,058   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
2025-08-31T09:29:50,060   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
2025-08-31T09:29:50,062   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
2025-08-31T09:29:50,064   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
2025-08-31T09:29:50,066   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
2025-08-31T09:29:50,067   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
2025-08-31T09:29:50,069   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
2025-08-31T09:29:50,071   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
2025-08-31T09:29:50,073   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
2025-08-31T09:29:50,075   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
2025-08-31T09:29:50,077   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
2025-08-31T09:29:50,079   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
2025-08-31T09:29:50,081   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
2025-08-31T09:29:50,083   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
2025-08-31T09:29:50,085   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
2025-08-31T09:29:50,087   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
2025-08-31T09:29:50,099   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,333   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,343   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,345   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,727   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,805   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,807   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:50,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,010   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-08-31T09:29:51,220   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-08-31T09:29:51,313   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,343   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-08-31T09:29:51,427   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,972   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:51,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,043   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,073   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-08-31T09:29:52,819   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:52,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,043   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-08-31T09:29:53,071   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:29:53,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:29:53,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:29:53,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:29:53,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:29:53,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-08-31T09:29:53,086   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-08-31T09:29:53,088   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
2025-08-31T09:29:53,090   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
2025-08-31T09:29:53,092   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
2025-08-31T09:29:53,095   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
2025-08-31T09:29:53,097   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
2025-08-31T09:29:53,100   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
2025-08-31T09:29:53,102   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
2025-08-31T09:29:53,104   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
2025-08-31T09:29:53,106   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
2025-08-31T09:29:53,108   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
2025-08-31T09:29:53,110   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
2025-08-31T09:29:53,112   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
2025-08-31T09:29:53,114   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
2025-08-31T09:29:53,116   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
2025-08-31T09:29:53,118   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
2025-08-31T09:29:53,121   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
2025-08-31T09:29:53,123   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
2025-08-31T09:29:53,125   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
2025-08-31T09:29:53,128   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
2025-08-31T09:29:53,131   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
2025-08-31T09:29:53,133   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
2025-08-31T09:29:53,135   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
2025-08-31T09:29:53,137   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
2025-08-31T09:29:53,139   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
2025-08-31T09:29:53,141   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
2025-08-31T09:29:53,143   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
2025-08-31T09:29:53,145   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
2025-08-31T09:29:53,148   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
2025-08-31T09:29:53,150   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
2025-08-31T09:29:53,153   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
2025-08-31T09:29:53,155   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
2025-08-31T09:29:53,157   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
2025-08-31T09:29:53,160   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
2025-08-31T09:29:53,163   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
2025-08-31T09:29:53,165   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
2025-08-31T09:29:53,168   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
2025-08-31T09:29:53,171   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
2025-08-31T09:29:53,174   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
2025-08-31T09:29:53,177   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
2025-08-31T09:29:53,179   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
2025-08-31T09:29:53,181   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
2025-08-31T09:29:53,183   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
2025-08-31T09:29:53,185   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
2025-08-31T09:29:53,187   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
2025-08-31T09:29:53,189   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
2025-08-31T09:29:53,192   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
2025-08-31T09:29:53,194   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
2025-08-31T09:29:53,196   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
2025-08-31T09:29:53,199   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,222   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
2025-08-31T09:29:53,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,228   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
2025-08-31T09:29:53,231   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
2025-08-31T09:29:53,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,237   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
2025-08-31T09:29:53,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,246   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
2025-08-31T09:29:53,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,254   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
2025-08-31T09:29:53,256   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
2025-08-31T09:29:53,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,260   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
2025-08-31T09:29:53,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,272   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
2025-08-31T09:29:53,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-08-31T09:29:53,278   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,343   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,345   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,377   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,379   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-08-31T09:29:53,394   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-08-31T09:29:53,644   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-08-31T09:29:53,713   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-08-31T09:29:53,854   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:29:53,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:29:53,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:29:53,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:29:53,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-08-31T09:29:53,864   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-08-31T09:29:53,895   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:53,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-08-31T09:29:54,033   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-08-31T09:29:54,105   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,333   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,375   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,377   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,379   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,805   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,807   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,809   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:54,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-08-31T09:29:55,254   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,255   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
2025-08-31T09:29:55,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,263   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
2025-08-31T09:29:55,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,274   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
2025-08-31T09:29:55,276   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
2025-08-31T09:29:55,278   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
2025-08-31T09:29:55,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,282   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
2025-08-31T09:29:55,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-08-31T09:29:55,291   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,333   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-08-31T09:29:55,344   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-08-31T09:29:55,346   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
2025-08-31T09:29:55,347   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
2025-08-31T09:29:55,350   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
2025-08-31T09:29:55,352   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
2025-08-31T09:29:55,353   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
2025-08-31T09:29:55,355   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
2025-08-31T09:29:55,357   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
2025-08-31T09:29:55,359   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
2025-08-31T09:29:55,361   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
2025-08-31T09:29:55,363   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
2025-08-31T09:29:55,365   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
2025-08-31T09:29:55,367   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
2025-08-31T09:29:55,369   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
2025-08-31T09:29:55,371   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
2025-08-31T09:29:55,373   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
2025-08-31T09:29:55,375   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
2025-08-31T09:29:55,377   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
2025-08-31T09:29:55,379   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
2025-08-31T09:29:55,381   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
2025-08-31T09:29:55,383   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
2025-08-31T09:29:55,385   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
2025-08-31T09:29:55,387   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
2025-08-31T09:29:55,389   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
2025-08-31T09:29:55,391   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
2025-08-31T09:29:55,393   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
2025-08-31T09:29:55,395   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
2025-08-31T09:29:55,397   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
2025-08-31T09:29:55,399   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
2025-08-31T09:29:55,401   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
2025-08-31T09:29:55,403   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
2025-08-31T09:29:55,405   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
2025-08-31T09:29:55,407   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
2025-08-31T09:29:55,409   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
2025-08-31T09:29:55,411   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
2025-08-31T09:29:55,413   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
2025-08-31T09:29:55,415   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
2025-08-31T09:29:55,417   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
2025-08-31T09:29:55,419   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
2025-08-31T09:29:55,421   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
2025-08-31T09:29:55,423   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
2025-08-31T09:29:55,425   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
2025-08-31T09:29:55,427   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
2025-08-31T09:29:55,428   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
2025-08-31T09:29:55,431   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
2025-08-31T09:29:55,432   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
2025-08-31T09:29:55,434   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
2025-08-31T09:29:55,436   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
2025-08-31T09:29:55,438   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
2025-08-31T09:29:55,440   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
2025-08-31T09:29:55,443   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
2025-08-31T09:29:55,445   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
2025-08-31T09:29:55,447   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
2025-08-31T09:29:55,449   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
2025-08-31T09:29:55,451   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
2025-08-31T09:29:55,453   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
2025-08-31T09:29:55,455   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
2025-08-31T09:29:55,457   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
2025-08-31T09:29:55,459   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
2025-08-31T09:29:55,461   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
2025-08-31T09:29:55,463   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
2025-08-31T09:29:55,465   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
2025-08-31T09:29:55,467   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
2025-08-31T09:29:55,469   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
2025-08-31T09:29:55,471   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
2025-08-31T09:29:55,473   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
2025-08-31T09:29:55,475   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
2025-08-31T09:29:55,477   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
2025-08-31T09:29:55,479   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
2025-08-31T09:29:55,481   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
2025-08-31T09:29:55,483   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
2025-08-31T09:29:55,486   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
2025-08-31T09:29:55,488   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
2025-08-31T09:29:55,490   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
2025-08-31T09:29:55,492   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
2025-08-31T09:29:55,494   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
2025-08-31T09:29:55,496   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
2025-08-31T09:29:55,498   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
2025-08-31T09:29:55,500   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
2025-08-31T09:29:55,502   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
2025-08-31T09:29:55,504   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
2025-08-31T09:29:55,506   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
2025-08-31T09:29:55,508   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
2025-08-31T09:29:55,510   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
2025-08-31T09:29:55,512   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
2025-08-31T09:29:55,514   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
2025-08-31T09:29:55,516   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
2025-08-31T09:29:55,518   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
2025-08-31T09:29:55,521   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
2025-08-31T09:29:55,523   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
2025-08-31T09:29:55,525   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
2025-08-31T09:29:55,529   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-08-31T09:29:55,576   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-08-31T09:29:55,661   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-08-31T09:29:55,694   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-08-31T09:29:55,787   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,972   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:55,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-08-31T09:29:56,047   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,073   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,077   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,377   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-08-31T09:29:56,470   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-08-31T09:29:56,661   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,727   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-08-31T09:29:56,866   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-08-31T09:29:56,903   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:56,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,043   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-08-31T09:29:57,045   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:29:57,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:29:57,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:29:57,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:29:57,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:29:57,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:29:57,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:29:57,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:29:57,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-08-31T09:29:57,065   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-08-31T09:29:57,265   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,270   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
2025-08-31T09:29:57,272   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
2025-08-31T09:29:57,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,278   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
2025-08-31T09:29:57,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,294   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
2025-08-31T09:29:57,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,298   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
2025-08-31T09:29:57,300   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
2025-08-31T09:29:57,301   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
2025-08-31T09:29:57,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,305   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
2025-08-31T09:29:57,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,317   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
2025-08-31T09:29:57,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,337   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
2025-08-31T09:29:57,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,342   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
2025-08-31T09:29:57,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,346   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
2025-08-31T09:29:57,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,354   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
2025-08-31T09:29:57,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,360   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
2025-08-31T09:29:57,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,364   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
2025-08-31T09:29:57,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,370   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
2025-08-31T09:29:57,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,374   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
2025-08-31T09:29:57,376   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
2025-08-31T09:29:57,379   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
2025-08-31T09:29:57,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,385   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
2025-08-31T09:29:57,387   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
2025-08-31T09:29:57,389   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
2025-08-31T09:29:57,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,393   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
2025-08-31T09:29:57,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,403   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
2025-08-31T09:29:57,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,411   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
2025-08-31T09:29:57,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,419   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
2025-08-31T09:29:57,421   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
2025-08-31T09:29:57,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,444   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
2025-08-31T09:29:57,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,448   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
2025-08-31T09:29:57,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,452   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
2025-08-31T09:29:57,454   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
2025-08-31T09:29:57,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,462   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
2025-08-31T09:29:57,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,466   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
2025-08-31T09:29:57,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,474   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
2025-08-31T09:29:57,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,490   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
2025-08-31T09:29:57,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,494   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
2025-08-31T09:29:57,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,501   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
2025-08-31T09:29:57,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,512   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
2025-08-31T09:29:57,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,525   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
2025-08-31T09:29:57,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,532   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
2025-08-31T09:29:57,534   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
2025-08-31T09:29:57,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,547   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
2025-08-31T09:29:57,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,554   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
2025-08-31T09:29:57,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,573   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
2025-08-31T09:29:57,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,583   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
2025-08-31T09:29:57,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,587   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
2025-08-31T09:29:57,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,597   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
2025-08-31T09:29:57,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,834   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
2025-08-31T09:29:57,836   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
2025-08-31T09:29:57,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,847   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
2025-08-31T09:29:57,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,852   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
2025-08-31T09:29:57,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,859   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
2025-08-31T09:29:57,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,863   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
2025-08-31T09:29:57,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,867   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
2025-08-31T09:29:57,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,874   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
2025-08-31T09:29:57,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,890   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
2025-08-31T09:29:57,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,896   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
2025-08-31T09:29:57,898   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
2025-08-31T09:29:57,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,921   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
2025-08-31T09:29:57,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,949   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
2025-08-31T09:29:57,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,959   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
2025-08-31T09:29:57,961   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
2025-08-31T09:29:57,965   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
2025-08-31T09:29:57,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,978   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
2025-08-31T09:29:57,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,984   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
2025-08-31T09:29:57,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,993   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
2025-08-31T09:29:57,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:57,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,007   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
2025-08-31T09:29:58,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,013   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
2025-08-31T09:29:58,015   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
2025-08-31T09:29:58,017   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
2025-08-31T09:29:58,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,025   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
2025-08-31T09:29:58,027   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
2025-08-31T09:29:58,029   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
2025-08-31T09:29:58,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,044   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
2025-08-31T09:29:58,046   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
2025-08-31T09:29:58,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,060   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
2025-08-31T09:29:58,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,067   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
2025-08-31T09:29:58,069   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
2025-08-31T09:29:58,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,073   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
2025-08-31T09:29:58,075   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
2025-08-31T09:29:58,077   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
2025-08-31T09:29:58,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,095   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
2025-08-31T09:29:58,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,101   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
2025-08-31T09:29:58,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,109   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
2025-08-31T09:29:58,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,116   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
2025-08-31T09:29:58,118   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
2025-08-31T09:29:58,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,130   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
2025-08-31T09:29:58,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,133   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
2025-08-31T09:29:58,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,139   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
2025-08-31T09:29:58,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,148   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
2025-08-31T09:29:58,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,158   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
2025-08-31T09:29:58,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,164   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
2025-08-31T09:29:58,166   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
2025-08-31T09:29:58,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,172   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
2025-08-31T09:29:58,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,186   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
2025-08-31T09:29:58,188   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
2025-08-31T09:29:58,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,192   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
2025-08-31T09:29:58,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,200   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
2025-08-31T09:29:58,202   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
2025-08-31T09:29:58,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,206   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
2025-08-31T09:29:58,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,216   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
2025-08-31T09:29:58,218   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
2025-08-31T09:29:58,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,247   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
2025-08-31T09:29:58,249   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
2025-08-31T09:29:58,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,257   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
2025-08-31T09:29:58,260   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
2025-08-31T09:29:58,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,274   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
2025-08-31T09:29:58,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,280   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
2025-08-31T09:29:58,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,286   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
2025-08-31T09:29:58,288   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
2025-08-31T09:29:58,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,300   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
2025-08-31T09:29:58,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,314   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
2025-08-31T09:29:58,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,322   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
2025-08-31T09:29:58,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,326   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
2025-08-31T09:29:58,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,334   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
2025-08-31T09:29:58,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,340   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
2025-08-31T09:29:58,342   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
2025-08-31T09:29:58,343   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
2025-08-31T09:29:58,345   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,351   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
2025-08-31T09:29:58,353   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
2025-08-31T09:29:58,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,357   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
2025-08-31T09:29:58,359   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
2025-08-31T09:29:58,361   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
2025-08-31T09:29:58,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,367   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
2025-08-31T09:29:58,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,375   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,377   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
2025-08-31T09:29:58,379   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
2025-08-31T09:29:58,381   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
2025-08-31T09:29:58,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,389   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
2025-08-31T09:29:58,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,410   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
2025-08-31T09:29:58,412   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
2025-08-31T09:29:58,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,416   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
2025-08-31T09:29:58,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,420   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
2025-08-31T09:29:58,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,426   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
2025-08-31T09:29:58,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,430   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
2025-08-31T09:29:58,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,434   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
2025-08-31T09:29:58,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,444   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
2025-08-31T09:29:58,446   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
2025-08-31T09:29:58,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,450   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
2025-08-31T09:29:58,452   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
2025-08-31T09:29:58,454   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
2025-08-31T09:29:58,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,461   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
2025-08-31T09:29:58,463   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
2025-08-31T09:29:58,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,469   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
2025-08-31T09:29:58,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,473   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
2025-08-31T09:29:58,475   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
2025-08-31T09:29:58,477   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
2025-08-31T09:29:58,479   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
2025-08-31T09:29:58,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-08-31T09:29:58,485   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-08-31T09:29:58,536   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,591   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
2025-08-31T09:29:58,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-08-31T09:29:58,642   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-08-31T09:29:58,786   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-08-31T09:29:58,865   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,875   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
2025-08-31T09:29:58,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,883   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
2025-08-31T09:29:58,885   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
2025-08-31T09:29:58,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,901   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
2025-08-31T09:29:58,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,912   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
2025-08-31T09:29:58,914   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
2025-08-31T09:29:58,916   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
2025-08-31T09:29:58,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,926   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
2025-08-31T09:29:58,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,930   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
2025-08-31T09:29:58,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,950   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
2025-08-31T09:29:58,952   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
2025-08-31T09:29:58,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,973   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
2025-08-31T09:29:58,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-08-31T09:29:58,980   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:58,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:58,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:58,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:58,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:58,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:58,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:58,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:58,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:58,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:58,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,002   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,010   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-08-31T09:29:59,051   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,073   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-08-31T09:29:59,108   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-08-31T09:29:59,142   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-08-31T09:29:59,170   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-08-31T09:29:59,311   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:29:59,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:29:59,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:29:59,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:29:59,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:29:59,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:29:59,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:29:59,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:29:59,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-08-31T09:29:59,329   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-08-31T09:29:59,417   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,448   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
2025-08-31T09:29:59,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,462   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
2025-08-31T09:29:59,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,470   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
2025-08-31T09:29:59,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,475   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
2025-08-31T09:29:59,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,489   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
2025-08-31T09:29:59,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,495   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
2025-08-31T09:29:59,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-08-31T09:29:59,511   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-08-31T09:29:59,568   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,588   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
2025-08-31T09:29:59,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,634   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
2025-08-31T09:29:59,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,662   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
2025-08-31T09:29:59,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-08-31T09:29:59,702   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,727   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:29:59,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,002   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,073   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,077   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-08-31T09:30:00,133   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-08-31T09:30:00,216   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-08-31T09:30:00,297   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:30:00,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:30:00,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:30:00,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:30:00,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:30:00,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:30:00,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:30:00,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:30:00,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-08-31T09:30:00,315   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,316   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
2025-08-31T09:30:00,319   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
2025-08-31T09:30:00,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,323   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
2025-08-31T09:30:00,325   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
2025-08-31T09:30:00,327   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
2025-08-31T09:30:00,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,334   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
2025-08-31T09:30:00,336   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
2025-08-31T09:30:00,338   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
2025-08-31T09:30:00,340   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
2025-08-31T09:30:00,342   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
2025-08-31T09:30:00,344   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
2025-08-31T09:30:00,346   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
2025-08-31T09:30:00,348   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
2025-08-31T09:30:00,350   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
2025-08-31T09:30:00,352   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
2025-08-31T09:30:00,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,358   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
2025-08-31T09:30:00,360   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
2025-08-31T09:30:00,362   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
2025-08-31T09:30:00,365   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
2025-08-31T09:30:00,367   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
2025-08-31T09:30:00,369   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
2025-08-31T09:30:00,372   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
2025-08-31T09:30:00,374   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
2025-08-31T09:30:00,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,379   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
2025-08-31T09:30:00,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,387   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
2025-08-31T09:30:00,390   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
2025-08-31T09:30:00,392   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
2025-08-31T09:30:00,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,398   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
2025-08-31T09:30:00,400   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
2025-08-31T09:30:00,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-08-31T09:30:00,404   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
2025-08-31T09:30:00,407   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-08-31T09:30:00,420   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-08-31T09:30:00,521   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-08-31T09:30:00,621   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:00,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-08-31T09:30:01,326   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-08-31T09:30:01,428   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-08-31T09:30:01,459   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-08-31T09:30:01,548   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-08-31T09:30:01,599   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,805   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-08-31T09:30:01,907   copying build/lib/xcbm/GMTKN55.py -> build/bdist.linux-armv7l/wheel/./xcbm
2025-08-31T09:30:01,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset
2025-08-31T09:30:01,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES
2025-08-31T09:30:01,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18
2025-08-31T09:30:01,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne
2025-08-31T09:30:01,918   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne
2025-08-31T09:30:01,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6
2025-08-31T09:30:01,922   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6
2025-08-31T09:30:01,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2
2025-08-31T09:30:01,926   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2
2025-08-31T09:30:01,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe
2025-08-31T09:30:01,930   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe
2025-08-31T09:30:01,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:30:01,933   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:30:01,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe
2025-08-31T09:30:01,937   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe
2025-08-31T09:30:01,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr
2025-08-31T09:30:01,941   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr
2025-08-31T09:30:01,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:30:01,945   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:30:01,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf
2025-08-31T09:30:01,949   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf
2025-08-31T09:30:01,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3
2025-08-31T09:30:01,953   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3
2025-08-31T09:30:01,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4
2025-08-31T09:30:01,960   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4
2025-08-31T09:30:01,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz
2025-08-31T09:30:01,964   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz
2025-08-31T09:30:01,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4
2025-08-31T09:30:01,968   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4
2025-08-31T09:30:01,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr
2025-08-31T09:30:01,972   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr
2025-08-31T09:30:01,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3
2025-08-31T09:30:01,976   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3
2025-08-31T09:30:01,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3
2025-08-31T09:30:01,980   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3
2025-08-31T09:30:01,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2
2025-08-31T09:30:01,984   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2
2025-08-31T09:30:01,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2
2025-08-31T09:30:01,988   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2
2025-08-31T09:30:01,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:30:01,994   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:30:01,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6
2025-08-31T09:30:01,998   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6
2025-08-31T09:30:02,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr
2025-08-31T09:30:02,002   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr
2025-08-31T09:30:02,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr
2025-08-31T09:30:02,006   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr
2025-08-31T09:30:02,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:30:02,010   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:30:02,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar
2025-08-31T09:30:02,014   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar
2025-08-31T09:30:02,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2
2025-08-31T09:30:02,018   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2
2025-08-31T09:30:02,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC
2025-08-31T09:30:02,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117
2025-08-31T09:30:02,024   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117
2025-08-31T09:30:02,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23
2025-08-31T09:30:02,028   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23
2025-08-31T09:30:02,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121
2025-08-31T09:30:02,031   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121
2025-08-31T09:30:02,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11
2025-08-31T09:30:02,035   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11
2025-08-31T09:30:02,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67
2025-08-31T09:30:02,039   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67
2025-08-31T09:30:02,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118
2025-08-31T09:30:02,043   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118
2025-08-31T09:30:02,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68
2025-08-31T09:30:02,047   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68
2025-08-31T09:30:02,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56
2025-08-31T09:30:02,051   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56
2025-08-31T09:30:02,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6
2025-08-31T09:30:02,055   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6
2025-08-31T09:30:02,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8
2025-08-31T09:30:02,059   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8
2025-08-31T09:30:02,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47
2025-08-31T09:30:02,063   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47
2025-08-31T09:30:02,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88
2025-08-31T09:30:02,067   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88
2025-08-31T09:30:02,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32
2025-08-31T09:30:02,071   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32
2025-08-31T09:30:02,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39
2025-08-31T09:30:02,075   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39
2025-08-31T09:30:02,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14
2025-08-31T09:30:02,079   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14
2025-08-31T09:30:02,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34
2025-08-31T09:30:02,082   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34
2025-08-31T09:30:02,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22
2025-08-31T09:30:02,086   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22
2025-08-31T09:30:02,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59
2025-08-31T09:30:02,090   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59
2025-08-31T09:30:02,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51
2025-08-31T09:30:02,093   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51
2025-08-31T09:30:02,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60
2025-08-31T09:30:02,097   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60
2025-08-31T09:30:02,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128
2025-08-31T09:30:02,101   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128
2025-08-31T09:30:02,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113
2025-08-31T09:30:02,104   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113
2025-08-31T09:30:02,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82
2025-08-31T09:30:02,108   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82
2025-08-31T09:30:02,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24
2025-08-31T09:30:02,112   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24
2025-08-31T09:30:02,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33
2025-08-31T09:30:02,116   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33
2025-08-31T09:30:02,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25
2025-08-31T09:30:02,120   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25
2025-08-31T09:30:02,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26
2025-08-31T09:30:02,124   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26
2025-08-31T09:30:02,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1
2025-08-31T09:30:02,127   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1
2025-08-31T09:30:02,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52
2025-08-31T09:30:02,131   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52
2025-08-31T09:30:02,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66
2025-08-31T09:30:02,135   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66
2025-08-31T09:30:02,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94
2025-08-31T09:30:02,139   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94
2025-08-31T09:30:02,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73
2025-08-31T09:30:02,142   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73
2025-08-31T09:30:02,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13
2025-08-31T09:30:02,146   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13
2025-08-31T09:30:02,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97
2025-08-31T09:30:02,150   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97
2025-08-31T09:30:02,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45
2025-08-31T09:30:02,153   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45
2025-08-31T09:30:02,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62
2025-08-31T09:30:02,157   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62
2025-08-31T09:30:02,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18
2025-08-31T09:30:02,161   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18
2025-08-31T09:30:02,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58
2025-08-31T09:30:02,165   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58
2025-08-31T09:30:02,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104
2025-08-31T09:30:02,169   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104
2025-08-31T09:30:02,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40
2025-08-31T09:30:02,172   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40
2025-08-31T09:30:02,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126
2025-08-31T09:30:02,176   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126
2025-08-31T09:30:02,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61
2025-08-31T09:30:02,180   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61
2025-08-31T09:30:02,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30
2025-08-31T09:30:02,184   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30
2025-08-31T09:30:02,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21
2025-08-31T09:30:02,188   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21
2025-08-31T09:30:02,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106
2025-08-31T09:30:02,192   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106
2025-08-31T09:30:02,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100
2025-08-31T09:30:02,195   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100
2025-08-31T09:30:02,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57
2025-08-31T09:30:02,199   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57
2025-08-31T09:30:02,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6
2025-08-31T09:30:02,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23
2025-08-31T09:30:02,205   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23
2025-08-31T09:30:02,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B
2025-08-31T09:30:02,208   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B
2025-08-31T09:30:02,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A
2025-08-31T09:30:02,212   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A
2025-08-31T09:30:02,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A
2025-08-31T09:30:02,216   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A
2025-08-31T09:30:02,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A
2025-08-31T09:30:02,220   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A
2025-08-31T09:30:02,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22
2025-08-31T09:30:02,223   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22
2025-08-31T09:30:02,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B
2025-08-31T09:30:02,227   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B
2025-08-31T09:30:02,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B
2025-08-31T09:30:02,231   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B
2025-08-31T09:30:02,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B
2025-08-31T09:30:02,235   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B
2025-08-31T09:30:02,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A
2025-08-31T09:30:02,239   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A
2025-08-31T09:30:02,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24
2025-08-31T09:30:02,243   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24
2025-08-31T09:30:02,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25
2025-08-31T09:30:02,246   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25
2025-08-31T09:30:02,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B
2025-08-31T09:30:02,250   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B
2025-08-31T09:30:02,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26
2025-08-31T09:30:02,254   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26
2025-08-31T09:30:02,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A
2025-08-31T09:30:02,258   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A
2025-08-31T09:30:02,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27
2025-08-31T09:30:02,261   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27
2025-08-31T09:30:02,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B
2025-08-31T09:30:02,265   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B
2025-08-31T09:30:02,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A
2025-08-31T09:30:02,269   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A
2025-08-31T09:30:02,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF
2025-08-31T09:30:02,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23
2025-08-31T09:30:02,275   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23
2025-08-31T09:30:02,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43
2025-08-31T09:30:02,279   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43
2025-08-31T09:30:02,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48
2025-08-31T09:30:02,283   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48
2025-08-31T09:30:02,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11
2025-08-31T09:30:02,287   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11
2025-08-31T09:30:02,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31
2025-08-31T09:30:02,291   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31
2025-08-31T09:30:02,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15
2025-08-31T09:30:02,295   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15
2025-08-31T09:30:02,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20
2025-08-31T09:30:02,299   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20
2025-08-31T09:30:02,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6
2025-08-31T09:30:02,303   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6
2025-08-31T09:30:02,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36
2025-08-31T09:30:02,307   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36
2025-08-31T09:30:02,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8
2025-08-31T09:30:02,311   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8
2025-08-31T09:30:02,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9
2025-08-31T09:30:02,314   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9
2025-08-31T09:30:02,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47
2025-08-31T09:30:02,318   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47
2025-08-31T09:30:02,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32
2025-08-31T09:30:02,322   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32
2025-08-31T09:30:02,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39
2025-08-31T09:30:02,326   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39
2025-08-31T09:30:02,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14
2025-08-31T09:30:02,331   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14
2025-08-31T09:30:02,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34
2025-08-31T09:30:02,335   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34
2025-08-31T09:30:02,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38
2025-08-31T09:30:02,339   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38
2025-08-31T09:30:02,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22
2025-08-31T09:30:02,343   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22
2025-08-31T09:30:02,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51
2025-08-31T09:30:02,347   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51
2025-08-31T09:30:02,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29
2025-08-31T09:30:02,351   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29
2025-08-31T09:30:02,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2
2025-08-31T09:30:02,356   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2
2025-08-31T09:30:02,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19
2025-08-31T09:30:02,360   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19
2025-08-31T09:30:02,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24
2025-08-31T09:30:02,365   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24
2025-08-31T09:30:02,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33
2025-08-31T09:30:02,369   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33
2025-08-31T09:30:02,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25
2025-08-31T09:30:02,373   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25
2025-08-31T09:30:02,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28
2025-08-31T09:30:02,377   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28
2025-08-31T09:30:02,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35
2025-08-31T09:30:02,382   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35
2025-08-31T09:30:02,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50
2025-08-31T09:30:02,386   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50
2025-08-31T09:30:02,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16
2025-08-31T09:30:02,390   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16
2025-08-31T09:30:02,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26
2025-08-31T09:30:02,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26
2025-08-31T09:30:02,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1
2025-08-31T09:30:02,397   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1
2025-08-31T09:30:02,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52
2025-08-31T09:30:02,401   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52
2025-08-31T09:30:02,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10
2025-08-31T09:30:02,405   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10
2025-08-31T09:30:02,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5
2025-08-31T09:30:02,409   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5
2025-08-31T09:30:02,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41
2025-08-31T09:30:02,413   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41
2025-08-31T09:30:02,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37
2025-08-31T09:30:02,417   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37
2025-08-31T09:30:02,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49
2025-08-31T09:30:02,421   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49
2025-08-31T09:30:02,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12
2025-08-31T09:30:02,425   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12
2025-08-31T09:30:02,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13
2025-08-31T09:30:02,429   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13
2025-08-31T09:30:02,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45
2025-08-31T09:30:02,434   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45
2025-08-31T09:30:02,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18
2025-08-31T09:30:02,438   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18
2025-08-31T09:30:02,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7
2025-08-31T09:30:02,442   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7
2025-08-31T09:30:02,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40
2025-08-31T09:30:02,445   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40
2025-08-31T09:30:02,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30
2025-08-31T09:30:02,449   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30
2025-08-31T09:30:02,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21
2025-08-31T09:30:02,453   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21
2025-08-31T09:30:02,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27
2025-08-31T09:30:02,457   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27
2025-08-31T09:30:02,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3
2025-08-31T09:30:02,461   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3
2025-08-31T09:30:02,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44
2025-08-31T09:30:02,465   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44
2025-08-31T09:30:02,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42
2025-08-31T09:30:02,469   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42
2025-08-31T09:30:02,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46
2025-08-31T09:30:02,473   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46
2025-08-31T09:30:02,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4
2025-08-31T09:30:02,477   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4
2025-08-31T09:30:02,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17
2025-08-31T09:30:02,481   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17
2025-08-31T09:30:02,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27
2025-08-31T09:30:02,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4
2025-08-31T09:30:02,488   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4
2025-08-31T09:30:02,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:30:02,492   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:30:02,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm
2025-08-31T09:30:02,496   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm
2025-08-31T09:30:02,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:30:02,500   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:30:02,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:30:02,504   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:30:02,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:30:02,508   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:30:02,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:30:02,512   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:30:02,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:30:02,516   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:30:02,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:30:02,520   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:30:02,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:30:02,523   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:30:02,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es
2025-08-31T09:30:02,527   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es
2025-08-31T09:30:02,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:30:02,532   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:30:02,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3
2025-08-31T09:30:02,535   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3
2025-08-31T09:30:02,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b
2025-08-31T09:30:02,539   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b
2025-08-31T09:30:02,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:30:02,543   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:30:02,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2
2025-08-31T09:30:02,547   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2
2025-08-31T09:30:02,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20
2025-08-31T09:30:02,552   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20
2025-08-31T09:30:02,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:30:02,556   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:30:02,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:30:02,560   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:30:02,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5
2025-08-31T09:30:02,564   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5
2025-08-31T09:30:02,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:30:02,568   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:30:02,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:30:02,572   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:30:02,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:30:02,576   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:30:02,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op
2025-08-31T09:30:02,580   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op
2025-08-31T09:30:02,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c
2025-08-31T09:30:02,583   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c
2025-08-31T09:30:02,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:30:02,588   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:30:02,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:30:02,592   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:30:02,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O
2025-08-31T09:30:02,596   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O
2025-08-31T09:30:02,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:30:02,599   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:30:02,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6
2025-08-31T09:30:02,603   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6
2025-08-31T09:30:02,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28
2025-08-31T09:30:02,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:30:02,609   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:30:02,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi
2025-08-31T09:30:02,613   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi
2025-08-31T09:30:02,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:30:02,617   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:30:02,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:30:02,621   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:30:02,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:30:02,625   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:30:02,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:30:02,629   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:30:02,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:30:02,633   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:30:02,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:30:02,637   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:30:02,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:30:02,641   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:30:02,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2
2025-08-31T09:30:02,645   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2
2025-08-31T09:30:02,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:30:02,648   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:30:02,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:30:02,652   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:30:02,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:30:02,656   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:30:02,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:30:02,660   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:30:02,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:30:02,664   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:30:02,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr
2025-08-31T09:30:02,668   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr
2025-08-31T09:30:02,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:30:02,672   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:30:02,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:30:02,676   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:30:02,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:30:02,680   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:30:02,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:30:02,683   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:30:02,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:30:02,687   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:30:02,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:30:02,691   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:30:02,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o
2025-08-31T09:30:02,695   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o
2025-08-31T09:30:02,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:30:02,699   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:30:02,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:30:02,703   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:30:02,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:30:02,706   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:30:02,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:30:02,710   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:30:02,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s
2025-08-31T09:30:02,714   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s
2025-08-31T09:30:02,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:30:02,717   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:30:02,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:30:02,721   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:30:02,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:30:02,725   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:30:02,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:30:02,729   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:30:02,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:30:02,733   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:30:02,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:30:02,737   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:30:02,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3
2025-08-31T09:30:02,742   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3
2025-08-31T09:30:02,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:30:02,746   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:30:02,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl
2025-08-31T09:30:02,750   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl
2025-08-31T09:30:02,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3
2025-08-31T09:30:02,754   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3
2025-08-31T09:30:02,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23
2025-08-31T09:30:02,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p
2025-08-31T09:30:02,760   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p
2025-08-31T09:30:02,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d
2025-08-31T09:30:02,765   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d
2025-08-31T09:30:02,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a
2025-08-31T09:30:02,769   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a
2025-08-31T09:30:02,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a
2025-08-31T09:30:02,773   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a
2025-08-31T09:30:02,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m
2025-08-31T09:30:02,777   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m
2025-08-31T09:30:02,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p
2025-08-31T09:30:02,781   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p
2025-08-31T09:30:02,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p
2025-08-31T09:30:02,785   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p
2025-08-31T09:30:02,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a
2025-08-31T09:30:02,789   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a
2025-08-31T09:30:02,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f
2025-08-31T09:30:02,793   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f
2025-08-31T09:30:02,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p
2025-08-31T09:30:02,797   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p
2025-08-31T09:30:02,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a
2025-08-31T09:30:02,801   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a
2025-08-31T09:30:02,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a
2025-08-31T09:30:02,806   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a
2025-08-31T09:30:02,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d
2025-08-31T09:30:02,810   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d
2025-08-31T09:30:02,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b
2025-08-31T09:30:02,814   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b
2025-08-31T09:30:02,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g
2025-08-31T09:30:02,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g
2025-08-31T09:30:02,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b
2025-08-31T09:30:02,822   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b
2025-08-31T09:30:02,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa
2025-08-31T09:30:02,826   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa
2025-08-31T09:30:02,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e
2025-08-31T09:30:02,830   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e
2025-08-31T09:30:02,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b
2025-08-31T09:30:02,834   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b
2025-08-31T09:30:02,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b
2025-08-31T09:30:02,838   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b
2025-08-31T09:30:02,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a
2025-08-31T09:30:02,842   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a
2025-08-31T09:30:02,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z
2025-08-31T09:30:02,846   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z
2025-08-31T09:30:02,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c
2025-08-31T09:30:02,850   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c
2025-08-31T09:30:02,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h
2025-08-31T09:30:02,854   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h
2025-08-31T09:30:02,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12
2025-08-31T09:30:02,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:30:02,861   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:30:02,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:30:02,864   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:30:02,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:30:02,868   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:30:02,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:30:02,872   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:30:02,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:30:02,876   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:30:02,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:30:02,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:30:02,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:30:02,883   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:30:02,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:30:02,887   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:30:02,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N
2025-08-31T09:30:02,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N
2025-08-31T09:30:02,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:30:02,895   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:30:02,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:30:02,899   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:30:02,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O
2025-08-31T09:30:02,903   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O
2025-08-31T09:30:02,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:30:02,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:30:02,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:30:02,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:30:02,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N
2025-08-31T09:30:02,914   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N
2025-08-31T09:30:02,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:30:02,919   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:30:02,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O
2025-08-31T09:30:02,922   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O
2025-08-31T09:30:02,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N
2025-08-31T09:30:02,927   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N
2025-08-31T09:30:02,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:30:02,930   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:30:02,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:30:02,934   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:30:02,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N
2025-08-31T09:30:02,938   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N
2025-08-31T09:30:02,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:30:02,942   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:30:02,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL
2025-08-31T09:30:02,945   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL
2025-08-31T09:30:02,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:30:02,950   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:30:02,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:30:02,953   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:30:02,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:30:02,957   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:30:02,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O
2025-08-31T09:30:02,961   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O
2025-08-31T09:30:02,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:30:02,965   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:30:02,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:30:02,969   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:30:02,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O
2025-08-31T09:30:02,973   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O
2025-08-31T09:30:02,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL
2025-08-31T09:30:02,977   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL
2025-08-31T09:30:02,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:30:02,981   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:30:02,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL
2025-08-31T09:30:02,985   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL
2025-08-31T09:30:02,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL
2025-08-31T09:30:02,989   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL
2025-08-31T09:30:02,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:30:02,992   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:30:02,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:30:02,996   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:30:02,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24
2025-08-31T09:30:03,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS
2025-08-31T09:30:03,002   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS
2025-08-31T09:30:03,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3
2025-08-31T09:30:03,006   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3
2025-08-31T09:30:03,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:30:03,010   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:30:03,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:30:03,014   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:30:03,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:30:03,018   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:30:03,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:30:03,022   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:30:03,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS
2025-08-31T09:30:03,025   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS
2025-08-31T09:30:03,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:30:03,029   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:30:03,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:30:03,033   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:30:03,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:30:03,037   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:30:03,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:30:03,041   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:30:03,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:30:03,045   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:30:03,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:30:03,049   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:30:03,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene
2025-08-31T09:30:03,052   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene
2025-08-31T09:30:03,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:30:03,056   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:30:03,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:30:03,060   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:30:03,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether
2025-08-31T09:30:03,064   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether
2025-08-31T09:30:03,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:30:03,069   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:30:03,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3
2025-08-31T09:30:03,072   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3
2025-08-31T09:30:03,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS
2025-08-31T09:30:03,076   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS
2025-08-31T09:30:03,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:30:03,080   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:30:03,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:30:03,084   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:30:03,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:30:03,088   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:30:03,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph
2025-08-31T09:30:03,092   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph
2025-08-31T09:30:03,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:30:03,096   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:30:03,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene
2025-08-31T09:30:03,100   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene
2025-08-31T09:30:03,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:30:03,104   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:30:03,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS
2025-08-31T09:30:03,107   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS
2025-08-31T09:30:03,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:30:03,111   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:30:03,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:30:03,115   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:30:03,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S
2025-08-31T09:30:03,119   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S
2025-08-31T09:30:03,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:30:03,123   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:30:03,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3
2025-08-31T09:30:03,127   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3
2025-08-31T09:30:03,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3
2025-08-31T09:30:03,131   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3
2025-08-31T09:30:03,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:30:03,135   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
2025-08-31T09:30:03,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:30:03,139   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:30:03,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3
2025-08-31T09:30:03,143   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3
2025-08-31T09:30:03,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:30:03,147   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:30:03,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:30:03,151   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
2025-08-31T09:30:03,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:30:03,155   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:30:03,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether
2025-08-31T09:30:03,159   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether
2025-08-31T09:30:03,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:30:03,163   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:30:03,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:30:03,167   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:30:03,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O
2025-08-31T09:30:03,171   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O
2025-08-31T09:30:03,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:30:03,175   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:30:03,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:30:03,179   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:30:03,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2
2025-08-31T09:30:03,182   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2
2025-08-31T09:30:03,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:30:03,186   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:30:03,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21
2025-08-31T09:30:03,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2
2025-08-31T09:30:03,193   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2
2025-08-31T09:30:03,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4
2025-08-31T09:30:03,197   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4
2025-08-31T09:30:03,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6
2025-08-31T09:30:03,201   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6
2025-08-31T09:30:03,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3
2025-08-31T09:30:03,205   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3
2025-08-31T09:30:03,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2
2025-08-31T09:30:03,208   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2
2025-08-31T09:30:03,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e
2025-08-31T09:30:03,212   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e
2025-08-31T09:30:03,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1
2025-08-31T09:30:03,216   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1
2025-08-31T09:30:03,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3
2025-08-31T09:30:03,221   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3
2025-08-31T09:30:03,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1
2025-08-31T09:30:03,224   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1
2025-08-31T09:30:03,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1
2025-08-31T09:30:03,228   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1
2025-08-31T09:30:03,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e
2025-08-31T09:30:03,232   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e
2025-08-31T09:30:03,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e
2025-08-31T09:30:03,236   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e
2025-08-31T09:30:03,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3
2025-08-31T09:30:03,240   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3
2025-08-31T09:30:03,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr
2025-08-31T09:30:03,244   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr
2025-08-31T09:30:03,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1
2025-08-31T09:30:03,249   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1
2025-08-31T09:30:03,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e
2025-08-31T09:30:03,253   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e
2025-08-31T09:30:03,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2
2025-08-31T09:30:03,257   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2
2025-08-31T09:30:03,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p
2025-08-31T09:30:03,261   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p
2025-08-31T09:30:03,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1
2025-08-31T09:30:03,264   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1
2025-08-31T09:30:03,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e
2025-08-31T09:30:03,268   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e
2025-08-31T09:30:03,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1
2025-08-31T09:30:03,272   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1
2025-08-31T09:30:03,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2
2025-08-31T09:30:03,276   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2
2025-08-31T09:30:03,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1
2025-08-31T09:30:03,280   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1
2025-08-31T09:30:03,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e
2025-08-31T09:30:03,284   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e
2025-08-31T09:30:03,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1
2025-08-31T09:30:03,288   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1
2025-08-31T09:30:03,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e
2025-08-31T09:30:03,292   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e
2025-08-31T09:30:03,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me
2025-08-31T09:30:03,296   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me
2025-08-31T09:30:03,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3
2025-08-31T09:30:03,300   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3
2025-08-31T09:30:03,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2
2025-08-31T09:30:03,304   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2
2025-08-31T09:30:03,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p
2025-08-31T09:30:03,308   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p
2025-08-31T09:30:03,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5
2025-08-31T09:30:03,312   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5
2025-08-31T09:30:03,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e
2025-08-31T09:30:03,316   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e
2025-08-31T09:30:03,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene
2025-08-31T09:30:03,320   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene
2025-08-31T09:30:03,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e
2025-08-31T09:30:03,323   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e
2025-08-31T09:30:03,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1
2025-08-31T09:30:03,327   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1
2025-08-31T09:30:03,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e
2025-08-31T09:30:03,331   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e
2025-08-31T09:30:03,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int
2025-08-31T09:30:03,335   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int
2025-08-31T09:30:03,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2
2025-08-31T09:30:03,339   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2
2025-08-31T09:30:03,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3
2025-08-31T09:30:03,343   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3
2025-08-31T09:30:03,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2
2025-08-31T09:30:03,347   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2
2025-08-31T09:30:03,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3
2025-08-31T09:30:03,351   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3
2025-08-31T09:30:03,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43
2025-08-31T09:30:03,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29
2025-08-31T09:30:03,358   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29
2025-08-31T09:30:03,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28
2025-08-31T09:30:03,363   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28
2025-08-31T09:30:03,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20
2025-08-31T09:30:03,367   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20
2025-08-31T09:30:03,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9
2025-08-31T09:30:03,371   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9
2025-08-31T09:30:03,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33
2025-08-31T09:30:03,375   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33
2025-08-31T09:30:03,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24
2025-08-31T09:30:03,379   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24
2025-08-31T09:30:03,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11
2025-08-31T09:30:03,382   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11
2025-08-31T09:30:03,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41
2025-08-31T09:30:03,386   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41
2025-08-31T09:30:03,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15
2025-08-31T09:30:03,390   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15
2025-08-31T09:30:03,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16
2025-08-31T09:30:03,394   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16
2025-08-31T09:30:03,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38
2025-08-31T09:30:03,398   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38
2025-08-31T09:30:03,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36
2025-08-31T09:30:03,402   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36
2025-08-31T09:30:03,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19
2025-08-31T09:30:03,406   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19
2025-08-31T09:30:03,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32
2025-08-31T09:30:03,410   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32
2025-08-31T09:30:03,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8
2025-08-31T09:30:03,414   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8
2025-08-31T09:30:03,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40
2025-08-31T09:30:03,418   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40
2025-08-31T09:30:03,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34
2025-08-31T09:30:03,422   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34
2025-08-31T09:30:03,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7
2025-08-31T09:30:03,426   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7
2025-08-31T09:30:03,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24
2025-08-31T09:30:03,430   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24
2025-08-31T09:30:03,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39
2025-08-31T09:30:03,434   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39
2025-08-31T09:30:03,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17
2025-08-31T09:30:03,438   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17
2025-08-31T09:30:03,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12
2025-08-31T09:30:03,442   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12
2025-08-31T09:30:03,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35
2025-08-31T09:30:03,446   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35
2025-08-31T09:30:03,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21
2025-08-31T09:30:03,450   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21
2025-08-31T09:30:03,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44
2025-08-31T09:30:03,454   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44
2025-08-31T09:30:03,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25
2025-08-31T09:30:03,457   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25
2025-08-31T09:30:03,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1
2025-08-31T09:30:03,461   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1
2025-08-31T09:30:03,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23
2025-08-31T09:30:03,465   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23
2025-08-31T09:30:03,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37
2025-08-31T09:30:03,469   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37
2025-08-31T09:30:03,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13
2025-08-31T09:30:03,473   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13
2025-08-31T09:30:03,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44
2025-08-31T09:30:03,477   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44
2025-08-31T09:30:03,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36
2025-08-31T09:30:03,481   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36
2025-08-31T09:30:03,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4
2025-08-31T09:30:03,485   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4
2025-08-31T09:30:03,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5
2025-08-31T09:30:03,489   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5
2025-08-31T09:30:03,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13
2025-08-31T09:30:03,493   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13
2025-08-31T09:30:03,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33
2025-08-31T09:30:03,497   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33
2025-08-31T09:30:03,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39
2025-08-31T09:30:03,500   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39
2025-08-31T09:30:03,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15
2025-08-31T09:30:03,504   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15
2025-08-31T09:30:03,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31
2025-08-31T09:30:03,508   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31
2025-08-31T09:30:03,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3
2025-08-31T09:30:03,512   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3
2025-08-31T09:30:03,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31
2025-08-31T09:30:03,516   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31
2025-08-31T09:30:03,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42
2025-08-31T09:30:03,520   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42
2025-08-31T09:30:03,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22
2025-08-31T09:30:03,524   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22
2025-08-31T09:30:03,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30
2025-08-31T09:30:03,528   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30
2025-08-31T09:30:03,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43
2025-08-31T09:30:03,532   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43
2025-08-31T09:30:03,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6
2025-08-31T09:30:03,536   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6
2025-08-31T09:30:03,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38
2025-08-31T09:30:03,540   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38
2025-08-31T09:30:03,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23
2025-08-31T09:30:03,544   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23
2025-08-31T09:30:03,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10
2025-08-31T09:30:03,548   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10
2025-08-31T09:30:03,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6
2025-08-31T09:30:03,552   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6
2025-08-31T09:30:03,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4
2025-08-31T09:30:03,556   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4
2025-08-31T09:30:03,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8
2025-08-31T09:30:03,560   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8
2025-08-31T09:30:03,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16
2025-08-31T09:30:03,564   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16
2025-08-31T09:30:03,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28
2025-08-31T09:30:03,568   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28
2025-08-31T09:30:03,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18
2025-08-31T09:30:03,572   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18
2025-08-31T09:30:03,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19
2025-08-31T09:30:03,576   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19
2025-08-31T09:30:03,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43
2025-08-31T09:30:03,580   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43
2025-08-31T09:30:03,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2
2025-08-31T09:30:03,584   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2
2025-08-31T09:30:03,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32
2025-08-31T09:30:03,588   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32
2025-08-31T09:30:03,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20
2025-08-31T09:30:03,592   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20
2025-08-31T09:30:03,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3
2025-08-31T09:30:03,596   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3
2025-08-31T09:30:03,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27
2025-08-31T09:30:03,600   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27
2025-08-31T09:30:03,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40
2025-08-31T09:30:03,604   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40
2025-08-31T09:30:03,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11
2025-08-31T09:30:03,608   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11
2025-08-31T09:30:03,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35
2025-08-31T09:30:03,612   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35
2025-08-31T09:30:03,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26
2025-08-31T09:30:03,616   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26
2025-08-31T09:30:03,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26
2025-08-31T09:30:03,620   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26
2025-08-31T09:30:03,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21
2025-08-31T09:30:03,624   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21
2025-08-31T09:30:03,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42
2025-08-31T09:30:03,628   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42
2025-08-31T09:30:03,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18
2025-08-31T09:30:03,632   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18
2025-08-31T09:30:03,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41
2025-08-31T09:30:03,635   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41
2025-08-31T09:30:03,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5
2025-08-31T09:30:03,640   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5
2025-08-31T09:30:03,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37
2025-08-31T09:30:03,644   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37
2025-08-31T09:30:03,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9
2025-08-31T09:30:03,648   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9
2025-08-31T09:30:03,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1
2025-08-31T09:30:03,651   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1
2025-08-31T09:30:03,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45
2025-08-31T09:30:03,656   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45
2025-08-31T09:30:03,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7
2025-08-31T09:30:03,660   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7
2025-08-31T09:30:03,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29
2025-08-31T09:30:03,664   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29
2025-08-31T09:30:03,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17
2025-08-31T09:30:03,667   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17
2025-08-31T09:30:03,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2
2025-08-31T09:30:03,671   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2
2025-08-31T09:30:03,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12
2025-08-31T09:30:03,675   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12
2025-08-31T09:30:03,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34
2025-08-31T09:30:03,679   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34
2025-08-31T09:30:03,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10
2025-08-31T09:30:03,683   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10
2025-08-31T09:30:03,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27
2025-08-31T09:30:03,687   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27
2025-08-31T09:30:03,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45
2025-08-31T09:30:03,691   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45
2025-08-31T09:30:03,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22
2025-08-31T09:30:03,695   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22
2025-08-31T09:30:03,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25
2025-08-31T09:30:03,699   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25
2025-08-31T09:30:03,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30
2025-08-31T09:30:03,703   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30
2025-08-31T09:30:03,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI
2025-08-31T09:30:03,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:30:03,710   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:30:03,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:30:03,713   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
2025-08-31T09:30:03,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:30:03,717   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
2025-08-31T09:30:03,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6
2025-08-31T09:30:03,721   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6
2025-08-31T09:30:03,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5
2025-08-31T09:30:03,725   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5
2025-08-31T09:30:03,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2
2025-08-31T09:30:03,729   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2
2025-08-31T09:30:03,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:30:03,733   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
2025-08-31T09:30:03,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:30:03,737   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:30:03,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:30:03,741   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:30:03,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:30:03,745   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:30:03,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4
2025-08-31T09:30:03,749   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4
2025-08-31T09:30:03,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6
2025-08-31T09:30:03,753   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6
2025-08-31T09:30:03,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts
2025-08-31T09:30:03,758   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts
2025-08-31T09:30:03,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:30:03,762   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
2025-08-31T09:30:03,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:30:03,766   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:30:03,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5
2025-08-31T09:30:03,770   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5
2025-08-31T09:30:03,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts
2025-08-31T09:30:03,774   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts
2025-08-31T09:30:03,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:30:03,778   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:30:03,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:30:03,782   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:30:03,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9
2025-08-31T09:30:03,785   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9
2025-08-31T09:30:03,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts
2025-08-31T09:30:03,789   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts
2025-08-31T09:30:03,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts
2025-08-31T09:30:03,793   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts
2025-08-31T09:30:03,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8
2025-08-31T09:30:03,798   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8
2025-08-31T09:30:03,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:30:03,803   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:30:03,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts
2025-08-31T09:30:03,807   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts
2025-08-31T09:30:03,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r
2025-08-31T09:30:03,811   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r
2025-08-31T09:30:03,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:30:03,815   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:30:03,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:30:03,819   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:30:03,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r
2025-08-31T09:30:03,823   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r
2025-08-31T09:30:03,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3
2025-08-31T09:30:03,827   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3
2025-08-31T09:30:03,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts
2025-08-31T09:30:03,830   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts
2025-08-31T09:30:03,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts
2025-08-31T09:30:03,834   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts
2025-08-31T09:30:03,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts
2025-08-31T09:30:03,838   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts
2025-08-31T09:30:03,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:30:03,842   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
2025-08-31T09:30:03,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r
2025-08-31T09:30:03,846   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r
2025-08-31T09:30:03,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10
2025-08-31T09:30:03,850   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10
2025-08-31T09:30:03,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:30:03,854   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:30:03,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r
2025-08-31T09:30:03,858   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r
2025-08-31T09:30:03,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r
2025-08-31T09:30:03,862   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r
2025-08-31T09:30:03,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:30:03,866   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:30:03,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:30:03,870   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:30:03,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r
2025-08-31T09:30:03,874   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r
2025-08-31T09:30:03,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r
2025-08-31T09:30:03,878   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r
2025-08-31T09:30:03,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4
2025-08-31T09:30:03,882   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4
2025-08-31T09:30:03,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r
2025-08-31T09:30:03,887   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r
2025-08-31T09:30:03,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1
2025-08-31T09:30:03,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1
2025-08-31T09:30:03,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7
2025-08-31T09:30:03,895   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7
2025-08-31T09:30:03,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:30:03,899   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:30:03,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2
2025-08-31T09:30:03,903   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2
2025-08-31T09:30:03,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11
2025-08-31T09:30:03,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11
2025-08-31T09:30:03,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:30:03,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:30:03,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:30:03,915   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:30:03,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:30:03,919   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
2025-08-31T09:30:03,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9
2025-08-31T09:30:03,923   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9
2025-08-31T09:30:03,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1
2025-08-31T09:30:03,927   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1
2025-08-31T09:30:03,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts
2025-08-31T09:30:03,931   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts
2025-08-31T09:30:03,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:30:03,935   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:30:03,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7
2025-08-31T09:30:03,939   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7
2025-08-31T09:30:03,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:30:03,943   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
2025-08-31T09:30:03,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3
2025-08-31T09:30:03,947   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3
2025-08-31T09:30:03,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8
2025-08-31T09:30:03,951   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8
2025-08-31T09:30:03,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4
2025-08-31T09:30:03,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:30:03,957   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
2025-08-31T09:30:03,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:30:03,961   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
2025-08-31T09:30:03,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:30:03,965   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
2025-08-31T09:30:03,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:30:03,969   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
2025-08-31T09:30:03,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:30:03,973   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
2025-08-31T09:30:03,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h
2025-08-31T09:30:03,977   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h
2025-08-31T09:30:03,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:30:03,981   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
2025-08-31T09:30:03,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:30:03,985   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:30:03,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:30:03,989   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
2025-08-31T09:30:03,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:30:03,994   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
2025-08-31T09:30:03,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:30:03,997   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
2025-08-31T09:30:04,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o
2025-08-31T09:30:04,001   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o
2025-08-31T09:30:04,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:30:04,005   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
2025-08-31T09:30:04,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:30:04,010   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
2025-08-31T09:30:04,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:30:04,014   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
2025-08-31T09:30:04,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:30:04,018   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
2025-08-31T09:30:04,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:30:04,022   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
2025-08-31T09:30:04,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+
2025-08-31T09:30:04,026   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+
2025-08-31T09:30:04,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:30:04,030   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
2025-08-31T09:30:04,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:30:04,034   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
2025-08-31T09:30:04,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:30:04,039   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:30:04,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3
2025-08-31T09:30:04,043   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3
2025-08-31T09:30:04,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he
2025-08-31T09:30:04,047   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he
2025-08-31T09:30:04,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP
2025-08-31T09:30:04,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f
2025-08-31T09:30:04,053   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f
2025-08-31T09:30:04,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2
2025-08-31T09:30:04,057   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2
2025-08-31T09:30:04,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l
2025-08-31T09:30:04,061   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l
2025-08-31T09:30:04,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer
2025-08-31T09:30:04,065   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer
2025-08-31T09:30:04,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant
2025-08-31T09:30:04,073   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant
2025-08-31T09:30:04,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene
2025-08-31T09:30:04,078   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene
2025-08-31T09:30:04,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1
2025-08-31T09:30:04,082   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1
2025-08-31T09:30:04,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22
2025-08-31T09:30:04,086   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22
2025-08-31T09:30:04,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l
2025-08-31T09:30:04,090   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l
2025-08-31T09:30:04,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1
2025-08-31T09:30:04,094   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1
2025-08-31T09:30:04,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2
2025-08-31T09:30:04,099   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2
2025-08-31T09:30:04,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f
2025-08-31T09:30:04,103   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f
2025-08-31T09:30:04,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2
2025-08-31T09:30:04,107   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2
2025-08-31T09:30:04,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL
2025-08-31T09:30:04,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:30:04,114   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:30:04,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:30:04,117   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:30:04,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:30:04,121   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:30:04,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:30:04,124   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:30:04,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:30:04,128   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:30:04,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:30:04,132   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:30:04,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:30:04,135   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:30:04,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:30:04,139   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:30:04,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:30:04,143   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:30:04,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:30:04,147   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:30:04,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:30:04,150   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:30:04,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:30:04,154   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:30:04,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:30:04,158   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:30:04,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:30:04,162   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:30:04,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:30:04,166   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:30:04,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:30:04,170   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:30:04,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:30:04,173   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:30:04,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:30:04,177   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:30:04,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:30:04,181   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:30:04,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:30:04,185   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:30:04,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:30:04,188   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:30:04,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:30:04,192   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:30:04,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:30:04,196   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:30:04,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:30:04,200   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:30:04,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:30:04,204   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:30:04,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:30:04,208   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:30:04,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:30:04,211   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:30:04,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:30:04,215   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:30:04,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:30:04,219   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:30:04,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:30:04,223   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:30:04,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:30:04,227   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:30:04,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:30:04,231   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:30:04,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:30:04,234   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:30:04,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:30:04,238   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:30:04,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:30:04,242   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:30:04,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:30:04,246   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:30:04,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:30:04,250   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:30:04,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:30:04,254   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:30:04,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:30:04,258   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:30:04,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:30:04,262   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:30:04,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:30:04,265   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:30:04,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:30:04,269   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:30:04,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:30:04,274   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:30:04,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:30:04,277   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:30:04,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:30:04,281   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:30:04,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:30:04,285   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:30:04,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:30:04,289   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:30:04,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:30:04,292   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:30:04,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:30:04,296   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:30:04,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:30:04,300   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:30:04,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:30:04,303   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:30:04,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:30:04,307   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:30:04,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:30:04,311   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:30:04,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:30:04,315   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:30:04,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:30:04,319   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:30:04,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:30:04,323   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:30:04,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:30:04,327   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:30:04,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:30:04,331   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:30:04,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:30:04,335   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:30:04,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:30:04,339   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:30:04,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:30:04,344   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:30:04,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:30:04,348   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:30:04,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:30:04,352   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:30:04,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:30:04,356   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:30:04,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:30:04,360   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:30:04,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10
2025-08-31T09:30:04,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li
2025-08-31T09:30:04,366   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li
2025-08-31T09:30:04,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio
2025-08-31T09:30:04,370   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio
2025-08-31T09:30:04,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h
2025-08-31T09:30:04,373   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h
2025-08-31T09:30:04,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif
2025-08-31T09:30:04,378   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif
2025-08-31T09:30:04,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s
2025-08-31T09:30:04,381   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s
2025-08-31T09:30:04,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na
2025-08-31T09:30:04,385   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na
2025-08-31T09:30:04,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo
2025-08-31T09:30:04,389   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo
2025-08-31T09:30:04,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg
2025-08-31T09:30:04,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg
2025-08-31T09:30:04,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k
2025-08-31T09:30:04,396   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k
2025-08-31T09:30:04,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o
2025-08-31T09:30:04,400   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o
2025-08-31T09:30:04,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf
2025-08-31T09:30:04,404   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf
2025-08-31T09:30:04,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be
2025-08-31T09:30:04,407   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be
2025-08-31T09:30:04,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao
2025-08-31T09:30:04,411   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao
2025-08-31T09:30:04,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:30:04,415   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:30:04,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f
2025-08-31T09:30:04,419   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f
2025-08-31T09:30:04,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf
2025-08-31T09:30:04,423   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf
2025-08-31T09:30:04,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:30:04,426   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:30:04,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao
2025-08-31T09:30:04,430   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao
2025-08-31T09:30:04,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca
2025-08-31T09:30:04,434   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca
2025-08-31T09:30:04,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef
2025-08-31T09:30:04,438   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef
2025-08-31T09:30:04,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF
2025-08-31T09:30:04,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg
2025-08-31T09:30:04,444   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg
2025-08-31T09:30:04,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:30:04,447   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+
2025-08-31T09:30:04,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:30:04,451   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-
2025-08-31T09:30:04,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt
2025-08-31T09:30:04,455   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt
2025-08-31T09:30:04,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX
2025-08-31T09:30:04,459   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX
2025-08-31T09:30:04,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG
2025-08-31T09:30:04,462   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG
2025-08-31T09:30:04,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:30:04,466   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-
2025-08-31T09:30:04,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt
2025-08-31T09:30:04,470   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt
2025-08-31T09:30:04,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:30:04,474   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-
2025-08-31T09:30:04,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt
2025-08-31T09:30:04,478   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt
2025-08-31T09:30:04,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:30:04,482   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-
2025-08-31T09:30:04,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG
2025-08-31T09:30:04,486   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG
2025-08-31T09:30:04,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T
2025-08-31T09:30:04,490   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T
2025-08-31T09:30:04,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT
2025-08-31T09:30:04,495   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT
2025-08-31T09:30:04,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:30:04,498   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+
2025-08-31T09:30:04,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg
2025-08-31T09:30:04,502   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg
2025-08-31T09:30:04,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G
2025-08-31T09:30:04,506   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G
2025-08-31T09:30:04,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg
2025-08-31T09:30:04,510   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg
2025-08-31T09:30:04,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23
2025-08-31T09:30:04,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23
2025-08-31T09:30:04,517   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23
2025-08-31T09:30:04,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11
2025-08-31T09:30:04,521   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11
2025-08-31T09:30:04,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b
2025-08-31T09:30:04,525   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b
2025-08-31T09:30:04,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15
2025-08-31T09:30:04,529   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15
2025-08-31T09:30:04,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a
2025-08-31T09:30:04,533   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a
2025-08-31T09:30:04,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a
2025-08-31T09:30:04,537   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a
2025-08-31T09:30:04,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20
2025-08-31T09:30:04,541   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20
2025-08-31T09:30:04,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6
2025-08-31T09:30:04,545   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6
2025-08-31T09:30:04,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b
2025-08-31T09:30:04,549   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b
2025-08-31T09:30:04,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b
2025-08-31T09:30:04,553   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b
2025-08-31T09:30:04,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8
2025-08-31T09:30:04,557   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8
2025-08-31T09:30:04,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9
2025-08-31T09:30:04,561   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9
2025-08-31T09:30:04,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b
2025-08-31T09:30:04,565   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b
2025-08-31T09:30:04,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a
2025-08-31T09:30:04,569   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a
2025-08-31T09:30:04,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a
2025-08-31T09:30:04,573   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a
2025-08-31T09:30:04,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a
2025-08-31T09:30:04,577   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a
2025-08-31T09:30:04,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14
2025-08-31T09:30:04,581   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14
2025-08-31T09:30:04,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b
2025-08-31T09:30:04,585   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b
2025-08-31T09:30:04,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22
2025-08-31T09:30:04,589   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22
2025-08-31T09:30:04,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b
2025-08-31T09:30:04,593   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b
2025-08-31T09:30:04,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b
2025-08-31T09:30:04,597   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b
2025-08-31T09:30:04,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a
2025-08-31T09:30:04,601   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a
2025-08-31T09:30:04,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a
2025-08-31T09:30:04,605   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a
2025-08-31T09:30:04,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a
2025-08-31T09:30:04,831   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a
2025-08-31T09:30:04,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b
2025-08-31T09:30:04,837   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b
2025-08-31T09:30:04,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a
2025-08-31T09:30:04,842   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a
2025-08-31T09:30:04,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2
2025-08-31T09:30:04,847   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2
2025-08-31T09:30:04,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19
2025-08-31T09:30:04,853   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19
2025-08-31T09:30:04,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a
2025-08-31T09:30:04,857   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a
2025-08-31T09:30:04,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b
2025-08-31T09:30:04,861   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b
2025-08-31T09:30:04,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16
2025-08-31T09:30:04,864   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16
2025-08-31T09:30:04,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b
2025-08-31T09:30:04,868   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b
2025-08-31T09:30:04,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a
2025-08-31T09:30:04,872   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a
2025-08-31T09:30:04,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1
2025-08-31T09:30:04,876   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1
2025-08-31T09:30:04,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b
2025-08-31T09:30:04,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b
2025-08-31T09:30:04,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a
2025-08-31T09:30:04,883   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a
2025-08-31T09:30:04,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b
2025-08-31T09:30:04,887   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b
2025-08-31T09:30:04,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a
2025-08-31T09:30:04,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a
2025-08-31T09:30:04,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a
2025-08-31T09:30:04,895   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a
2025-08-31T09:30:04,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b
2025-08-31T09:30:04,899   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b
2025-08-31T09:30:04,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10
2025-08-31T09:30:04,903   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10
2025-08-31T09:30:04,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5
2025-08-31T09:30:04,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5
2025-08-31T09:30:04,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a
2025-08-31T09:30:04,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a
2025-08-31T09:30:04,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b
2025-08-31T09:30:04,914   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b
2025-08-31T09:30:04,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b
2025-08-31T09:30:04,918   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b
2025-08-31T09:30:04,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b
2025-08-31T09:30:04,922   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b
2025-08-31T09:30:04,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b
2025-08-31T09:30:04,926   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b
2025-08-31T09:30:04,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a
2025-08-31T09:30:04,930   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a
2025-08-31T09:30:04,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a
2025-08-31T09:30:04,933   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a
2025-08-31T09:30:04,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12
2025-08-31T09:30:04,937   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12
2025-08-31T09:30:04,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a
2025-08-31T09:30:04,941   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a
2025-08-31T09:30:04,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a
2025-08-31T09:30:04,945   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a
2025-08-31T09:30:04,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13
2025-08-31T09:30:04,949   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13
2025-08-31T09:30:04,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b
2025-08-31T09:30:04,952   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b
2025-08-31T09:30:04,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a
2025-08-31T09:30:04,956   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a
2025-08-31T09:30:04,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a
2025-08-31T09:30:04,960   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a
2025-08-31T09:30:04,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18
2025-08-31T09:30:04,963   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18
2025-08-31T09:30:04,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7
2025-08-31T09:30:04,967   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7
2025-08-31T09:30:04,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b
2025-08-31T09:30:04,971   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b
2025-08-31T09:30:04,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a
2025-08-31T09:30:04,974   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a
2025-08-31T09:30:04,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b
2025-08-31T09:30:04,978   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b
2025-08-31T09:30:04,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21
2025-08-31T09:30:04,982   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21
2025-08-31T09:30:04,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b
2025-08-31T09:30:04,986   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b
2025-08-31T09:30:04,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3
2025-08-31T09:30:04,990   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3
2025-08-31T09:30:04,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a
2025-08-31T09:30:04,994   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a
2025-08-31T09:30:04,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b
2025-08-31T09:30:04,997   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b
2025-08-31T09:30:05,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4
2025-08-31T09:30:05,002   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4
2025-08-31T09:30:05,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17
2025-08-31T09:30:05,005   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17
2025-08-31T09:30:05,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b
2025-08-31T09:30:05,009   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b
2025-08-31T09:30:05,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16
2025-08-31T09:30:05,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A
2025-08-31T09:30:05,016   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A
2025-08-31T09:30:05,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228
2025-08-31T09:30:05,020   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228
2025-08-31T09:30:05,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213
2025-08-31T09:30:05,024   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213
2025-08-31T09:30:05,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B
2025-08-31T09:30:05,027   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B
2025-08-31T09:30:05,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A
2025-08-31T09:30:05,031   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A
2025-08-31T09:30:05,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B
2025-08-31T09:30:05,035   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B
2025-08-31T09:30:05,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B
2025-08-31T09:30:05,038   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B
2025-08-31T09:30:05,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A
2025-08-31T09:30:05,042   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A
2025-08-31T09:30:05,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A
2025-08-31T09:30:05,046   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A
2025-08-31T09:30:05,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212
2025-08-31T09:30:05,050   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212
2025-08-31T09:30:05,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B
2025-08-31T09:30:05,053   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B
2025-08-31T09:30:05,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202
2025-08-31T09:30:05,057   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202
2025-08-31T09:30:05,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152
2025-08-31T09:30:05,061   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152
2025-08-31T09:30:05,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B
2025-08-31T09:30:05,064   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B
2025-08-31T09:30:05,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B
2025-08-31T09:30:05,068   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B
2025-08-31T09:30:05,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008
2025-08-31T09:30:05,072   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008
2025-08-31T09:30:05,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A
2025-08-31T09:30:05,075   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A
2025-08-31T09:30:05,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A
2025-08-31T09:30:05,079   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A
2025-08-31T09:30:05,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150
2025-08-31T09:30:05,084   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150
2025-08-31T09:30:05,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A
2025-08-31T09:30:05,088   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A
2025-08-31T09:30:05,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B
2025-08-31T09:30:05,092   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B
2025-08-31T09:30:05,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A
2025-08-31T09:30:05,096   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A
2025-08-31T09:30:05,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B
2025-08-31T09:30:05,100   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B
2025-08-31T09:30:05,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B
2025-08-31T09:30:05,104   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B
2025-08-31T09:30:05,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A
2025-08-31T09:30:05,108   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A
2025-08-31T09:30:05,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B
2025-08-31T09:30:05,112   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B
2025-08-31T09:30:05,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230
2025-08-31T09:30:05,116   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230
2025-08-31T09:30:05,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A
2025-08-31T09:30:05,119   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A
2025-08-31T09:30:05,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B
2025-08-31T09:30:05,123   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B
2025-08-31T09:30:05,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229
2025-08-31T09:30:05,127   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229
2025-08-31T09:30:05,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B
2025-08-31T09:30:05,131   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B
2025-08-31T09:30:05,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144
2025-08-31T09:30:05,135   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144
2025-08-31T09:30:05,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147
2025-08-31T09:30:05,139   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147
2025-08-31T09:30:05,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B
2025-08-31T09:30:05,143   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B
2025-08-31T09:30:05,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A
2025-08-31T09:30:05,146   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A
2025-08-31T09:30:05,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227
2025-08-31T09:30:05,150   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227
2025-08-31T09:30:05,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148
2025-08-31T09:30:05,154   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148
2025-08-31T09:30:05,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B
2025-08-31T09:30:05,158   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B
2025-08-31T09:30:05,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A
2025-08-31T09:30:05,162   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A
2025-08-31T09:30:05,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187
2025-08-31T09:30:05,165   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187
2025-08-31T09:30:05,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A
2025-08-31T09:30:05,170   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A
2025-08-31T09:30:05,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A
2025-08-31T09:30:05,174   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A
2025-08-31T09:30:05,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214
2025-08-31T09:30:05,177   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214
2025-08-31T09:30:05,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B
2025-08-31T09:30:05,181   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B
2025-08-31T09:30:05,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A
2025-08-31T09:30:05,185   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A
2025-08-31T09:30:05,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231
2025-08-31T09:30:05,188   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231
2025-08-31T09:30:05,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B
2025-08-31T09:30:05,192   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B
2025-08-31T09:30:05,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A
2025-08-31T09:30:05,196   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A
2025-08-31T09:30:05,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21
2025-08-31T09:30:05,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A
2025-08-31T09:30:05,203   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A
2025-08-31T09:30:05,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B
2025-08-31T09:30:05,206   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B
2025-08-31T09:30:05,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A
2025-08-31T09:30:05,211   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A
2025-08-31T09:30:05,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11
2025-08-31T09:30:05,214   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11
2025-08-31T09:30:05,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B
2025-08-31T09:30:05,218   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B
2025-08-31T09:30:05,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A
2025-08-31T09:30:05,222   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A
2025-08-31T09:30:05,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A
2025-08-31T09:30:05,226   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A
2025-08-31T09:30:05,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A
2025-08-31T09:30:05,229   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A
2025-08-31T09:30:05,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B
2025-08-31T09:30:05,233   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B
2025-08-31T09:30:05,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15
2025-08-31T09:30:05,237   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15
2025-08-31T09:30:05,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A
2025-08-31T09:30:05,241   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A
2025-08-31T09:30:05,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A
2025-08-31T09:30:05,244   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A
2025-08-31T09:30:05,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20
2025-08-31T09:30:05,248   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20
2025-08-31T09:30:05,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6
2025-08-31T09:30:05,252   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6
2025-08-31T09:30:05,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A
2025-08-31T09:30:05,256   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A
2025-08-31T09:30:05,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8
2025-08-31T09:30:05,259   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8
2025-08-31T09:30:05,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9
2025-08-31T09:30:05,263   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9
2025-08-31T09:30:05,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B
2025-08-31T09:30:05,267   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B
2025-08-31T09:30:05,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B
2025-08-31T09:30:05,271   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B
2025-08-31T09:30:05,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B
2025-08-31T09:30:05,275   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B
2025-08-31T09:30:05,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A
2025-08-31T09:30:05,279   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A
2025-08-31T09:30:05,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14
2025-08-31T09:30:05,286   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14
2025-08-31T09:30:05,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B
2025-08-31T09:30:05,289   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B
2025-08-31T09:30:05,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A
2025-08-31T09:30:05,293   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A
2025-08-31T09:30:05,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B
2025-08-31T09:30:05,301   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B
2025-08-31T09:30:05,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A
2025-08-31T09:30:05,305   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A
2025-08-31T09:30:05,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B
2025-08-31T09:30:05,309   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B
2025-08-31T09:30:05,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A
2025-08-31T09:30:05,313   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A
2025-08-31T09:30:05,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A
2025-08-31T09:30:05,317   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A
2025-08-31T09:30:05,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B
2025-08-31T09:30:05,321   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B
2025-08-31T09:30:05,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B
2025-08-31T09:30:05,325   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B
2025-08-31T09:30:05,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B
2025-08-31T09:30:05,328   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B
2025-08-31T09:30:05,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2
2025-08-31T09:30:05,332   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2
2025-08-31T09:30:05,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19
2025-08-31T09:30:05,335   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19
2025-08-31T09:30:05,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B
2025-08-31T09:30:05,339   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B
2025-08-31T09:30:05,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B
2025-08-31T09:30:05,343   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B
2025-08-31T09:30:05,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16
2025-08-31T09:30:05,347   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16
2025-08-31T09:30:05,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1
2025-08-31T09:30:05,351   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1
2025-08-31T09:30:05,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B
2025-08-31T09:30:05,355   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B
2025-08-31T09:30:05,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B
2025-08-31T09:30:05,358   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B
2025-08-31T09:30:05,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B
2025-08-31T09:30:05,362   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B
2025-08-31T09:30:05,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A
2025-08-31T09:30:05,366   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A
2025-08-31T09:30:05,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B
2025-08-31T09:30:05,370   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B
2025-08-31T09:30:05,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A
2025-08-31T09:30:05,374   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A
2025-08-31T09:30:05,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10
2025-08-31T09:30:05,378   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10
2025-08-31T09:30:05,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5
2025-08-31T09:30:05,381   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5
2025-08-31T09:30:05,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A
2025-08-31T09:30:05,385   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A
2025-08-31T09:30:05,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A
2025-08-31T09:30:05,389   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A
2025-08-31T09:30:05,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A
2025-08-31T09:30:05,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A
2025-08-31T09:30:05,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12
2025-08-31T09:30:05,397   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12
2025-08-31T09:30:05,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13
2025-08-31T09:30:05,401   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13
2025-08-31T09:30:05,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18
2025-08-31T09:30:05,405   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18
2025-08-31T09:30:05,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7
2025-08-31T09:30:05,408   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7
2025-08-31T09:30:05,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B
2025-08-31T09:30:05,412   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B
2025-08-31T09:30:05,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B
2025-08-31T09:30:05,416   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B
2025-08-31T09:30:05,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A
2025-08-31T09:30:05,419   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A
2025-08-31T09:30:05,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21
2025-08-31T09:30:05,423   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21
2025-08-31T09:30:05,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B
2025-08-31T09:30:05,427   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B
2025-08-31T09:30:05,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3
2025-08-31T09:30:05,431   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3
2025-08-31T09:30:05,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A
2025-08-31T09:30:05,434   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A
2025-08-31T09:30:05,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A
2025-08-31T09:30:05,438   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A
2025-08-31T09:30:05,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4
2025-08-31T09:30:05,442   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4
2025-08-31T09:30:05,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17
2025-08-31T09:30:05,446   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17
2025-08-31T09:30:05,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC
2025-08-31T09:30:05,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:30:05,452   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:30:05,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3
2025-08-31T09:30:05,455   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3
2025-08-31T09:30:05,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F
2025-08-31T09:30:05,459   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F
2025-08-31T09:30:05,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut
2025-08-31T09:30:05,463   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut
2025-08-31T09:30:05,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:30:05,467   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:30:05,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2
2025-08-31T09:30:05,471   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2
2025-08-31T09:30:05,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H
2025-08-31T09:30:05,475   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H
2025-08-31T09:30:05,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz
2025-08-31T09:30:05,478   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz
2025-08-31T09:30:05,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3
2025-08-31T09:30:05,482   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3
2025-08-31T09:30:05,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:30:05,486   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:30:05,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:30:05,490   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:30:05,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3
2025-08-31T09:30:05,494   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3
2025-08-31T09:30:05,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:30:05,498   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:30:05,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3
2025-08-31T09:30:05,502   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3
2025-08-31T09:30:05,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch
2025-08-31T09:30:05,507   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch
2025-08-31T09:30:05,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2
2025-08-31T09:30:05,511   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2
2025-08-31T09:30:05,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3
2025-08-31T09:30:05,515   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3
2025-08-31T09:30:05,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:30:05,519   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:30:05,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3
2025-08-31T09:30:05,523   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3
2025-08-31T09:30:05,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:30:05,527   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:30:05,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3
2025-08-31T09:30:05,531   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3
2025-08-31T09:30:05,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8
2025-08-31T09:30:05,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:30:05,537   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
2025-08-31T09:30:05,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8
2025-08-31T09:30:05,541   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8
2025-08-31T09:30:05,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c
2025-08-31T09:30:05,545   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c
2025-08-31T09:30:05,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:30:05,549   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:30:05,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+
2025-08-31T09:30:05,552   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+
2025-08-31T09:30:05,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:30:05,556   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
2025-08-31T09:30:05,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2
2025-08-31T09:30:05,560   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2
2025-08-31T09:30:05,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:30:05,564   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:30:05,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4
2025-08-31T09:30:05,568   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4
2025-08-31T09:30:05,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8
2025-08-31T09:30:05,572   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8
2025-08-31T09:30:05,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+
2025-08-31T09:30:05,575   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+
2025-08-31T09:30:05,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch
2025-08-31T09:30:05,579   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch
2025-08-31T09:30:05,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2
2025-08-31T09:30:05,583   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2
2025-08-31T09:30:05,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me
2025-08-31T09:30:05,586   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me
2025-08-31T09:30:05,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me
2025-08-31T09:30:05,590   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me
2025-08-31T09:30:05,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2
2025-08-31T09:30:05,594   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2
2025-08-31T09:30:05,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h
2025-08-31T09:30:05,598   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h
2025-08-31T09:30:05,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6
2025-08-31T09:30:05,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3
2025-08-31T09:30:05,603   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3
2025-08-31T09:30:05,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6
2025-08-31T09:30:05,607   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6
2025-08-31T09:30:05,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:30:05,611   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:30:05,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2
2025-08-31T09:30:05,615   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2
2025-08-31T09:30:05,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6
2025-08-31T09:30:05,619   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6
2025-08-31T09:30:05,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3
2025-08-31T09:30:05,622   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3
2025-08-31T09:30:05,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4
2025-08-31T09:30:05,626   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4
2025-08-31T09:30:05,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3
2025-08-31T09:30:05,630   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3
2025-08-31T09:30:05,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6
2025-08-31T09:30:05,634   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6
2025-08-31T09:30:05,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5
2025-08-31T09:30:05,637   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5
2025-08-31T09:30:05,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3
2025-08-31T09:30:05,641   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3
2025-08-31T09:30:05,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18
2025-08-31T09:30:05,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:30:05,647   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:30:05,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:30:05,651   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:30:05,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:30:05,655   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:30:05,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:30:05,659   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:30:05,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s
2025-08-31T09:30:05,663   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s
2025-08-31T09:30:05,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:30:05,666   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:30:05,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:30:05,670   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:30:05,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2
2025-08-31T09:30:05,674   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2
2025-08-31T09:30:05,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:30:05,678   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:30:05,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:30:05,682   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:30:05,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3
2025-08-31T09:30:05,686   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3
2025-08-31T09:30:05,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3
2025-08-31T09:30:05,690   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3
2025-08-31T09:30:05,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:30:05,694   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:30:05,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:30:05,697   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:30:05,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:30:05,701   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:30:05,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3
2025-08-31T09:30:05,705   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3
2025-08-31T09:30:05,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:30:05,709   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:30:05,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:30:05,712   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:30:05,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:30:05,716   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:30:05,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s
2025-08-31T09:30:05,720   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s
2025-08-31T09:30:05,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3
2025-08-31T09:30:05,724   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3
2025-08-31T09:30:05,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:30:05,728   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:30:05,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:30:05,732   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:30:05,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:30:05,736   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:30:05,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3
2025-08-31T09:30:05,740   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3
2025-08-31T09:30:05,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22
2025-08-31T09:30:05,744   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22
2025-08-31T09:30:05,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:30:05,748   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:30:05,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s
2025-08-31T09:30:05,752   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s
2025-08-31T09:30:05,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3
2025-08-31T09:30:05,756   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3
2025-08-31T09:30:05,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76
2025-08-31T09:30:05,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH
2025-08-31T09:30:05,762   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH
2025-08-31T09:30:05,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl
2025-08-31T09:30:05,766   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl
2025-08-31T09:30:05,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02
2025-08-31T09:30:05,771   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02
2025-08-31T09:30:05,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:30:05,775   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:30:05,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o
2025-08-31T09:30:05,779   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o
2025-08-31T09:30:05,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2
2025-08-31T09:30:05,783   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2
2025-08-31T09:30:05,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05
2025-08-31T09:30:05,787   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05
2025-08-31T09:30:05,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08
2025-08-31T09:30:05,791   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08
2025-08-31T09:30:05,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18
2025-08-31T09:30:05,795   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18
2025-08-31T09:30:05,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h
2025-08-31T09:30:05,798   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h
2025-08-31T09:30:05,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts
2025-08-31T09:30:05,802   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts
2025-08-31T09:30:05,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06
2025-08-31T09:30:05,806   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06
2025-08-31T09:30:05,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2
2025-08-31T09:30:05,810   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2
2025-08-31T09:30:05,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts
2025-08-31T09:30:05,814   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts
2025-08-31T09:30:05,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5
2025-08-31T09:30:05,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5
2025-08-31T09:30:05,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15
2025-08-31T09:30:05,821   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15
2025-08-31T09:30:05,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts
2025-08-31T09:30:05,825   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts
2025-08-31T09:30:05,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts
2025-08-31T09:30:05,829   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts
2025-08-31T09:30:05,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc
2025-08-31T09:30:05,833   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc
2025-08-31T09:30:05,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf
2025-08-31T09:30:05,837   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf
2025-08-31T09:30:05,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts
2025-08-31T09:30:05,841   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts
2025-08-31T09:30:05,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco
2025-08-31T09:30:05,844   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco
2025-08-31T09:30:05,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4
2025-08-31T09:30:05,848   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4
2025-08-31T09:30:05,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14
2025-08-31T09:30:05,852   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14
2025-08-31T09:30:05,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh
2025-08-31T09:30:05,856   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh
2025-08-31T09:30:05,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13
2025-08-31T09:30:05,860   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13
2025-08-31T09:30:05,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:30:05,863   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:30:05,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09
2025-08-31T09:30:05,867   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09
2025-08-31T09:30:05,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf
2025-08-31T09:30:05,871   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf
2025-08-31T09:30:05,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2
2025-08-31T09:30:05,875   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2
2025-08-31T09:30:05,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2
2025-08-31T09:30:05,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2
2025-08-31T09:30:05,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07
2025-08-31T09:30:05,882   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07
2025-08-31T09:30:05,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8
2025-08-31T09:30:05,886   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8
2025-08-31T09:30:05,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts
2025-08-31T09:30:05,890   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts
2025-08-31T09:30:05,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10
2025-08-31T09:30:05,894   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10
2025-08-31T09:30:05,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts
2025-08-31T09:30:05,898   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts
2025-08-31T09:30:05,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts
2025-08-31T09:30:05,902   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts
2025-08-31T09:30:05,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:30:05,905   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:30:05,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts
2025-08-31T09:30:05,909   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts
2025-08-31T09:30:05,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2
2025-08-31T09:30:05,913   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2
2025-08-31T09:30:05,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl
2025-08-31T09:30:05,917   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl
2025-08-31T09:30:05,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f
2025-08-31T09:30:05,921   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f
2025-08-31T09:30:05,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19
2025-08-31T09:30:05,924   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19
2025-08-31T09:30:05,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts
2025-08-31T09:30:05,928   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts
2025-08-31T09:30:05,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03
2025-08-31T09:30:05,932   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03
2025-08-31T09:30:05,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts
2025-08-31T09:30:05,936   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts
2025-08-31T09:30:05,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3
2025-08-31T09:30:05,940   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3
2025-08-31T09:30:05,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16
2025-08-31T09:30:05,943   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16
2025-08-31T09:30:05,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3
2025-08-31T09:30:05,947   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3
2025-08-31T09:30:05,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12
2025-08-31T09:30:05,951   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12
2025-08-31T09:30:05,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6
2025-08-31T09:30:05,955   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6
2025-08-31T09:30:05,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:30:05,959   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:30:05,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S
2025-08-31T09:30:05,963   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S
2025-08-31T09:30:05,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01
2025-08-31T09:30:05,967   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01
2025-08-31T09:30:05,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O
2025-08-31T09:30:05,971   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O
2025-08-31T09:30:05,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04
2025-08-31T09:30:05,974   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04
2025-08-31T09:30:05,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20
2025-08-31T09:30:05,978   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20
2025-08-31T09:30:05,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts
2025-08-31T09:30:05,982   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts
2025-08-31T09:30:05,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7
2025-08-31T09:30:05,986   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7
2025-08-31T09:30:05,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H
2025-08-31T09:30:05,990   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H
2025-08-31T09:30:05,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-
2025-08-31T09:30:05,993   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-
2025-08-31T09:30:05,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS
2025-08-31T09:30:05,997   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS
2025-08-31T09:30:06,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3
2025-08-31T09:30:06,001   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3
2025-08-31T09:30:06,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-
2025-08-31T09:30:06,005   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-
2025-08-31T09:30:06,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4
2025-08-31T09:30:06,009   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4
2025-08-31T09:30:06,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2
2025-08-31T09:30:06,013   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2
2025-08-31T09:30:06,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22
2025-08-31T09:30:06,017   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22
2025-08-31T09:30:06,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5
2025-08-31T09:30:06,020   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5
2025-08-31T09:30:06,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh
2025-08-31T09:30:06,024   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh
2025-08-31T09:30:06,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:30:06,029   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:30:06,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH
2025-08-31T09:30:06,033   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH
2025-08-31T09:30:06,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:30:06,036   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:30:06,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co
2025-08-31T09:30:06,041   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co
2025-08-31T09:30:06,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts
2025-08-31T09:30:06,045   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts
2025-08-31T09:30:06,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts
2025-08-31T09:30:06,049   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts
2025-08-31T09:30:06,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f
2025-08-31T09:30:06,053   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f
2025-08-31T09:30:06,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O
2025-08-31T09:30:06,057   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O
2025-08-31T09:30:06,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2
2025-08-31T09:30:06,060   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2
2025-08-31T09:30:06,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl
2025-08-31T09:30:06,064   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl
2025-08-31T09:30:06,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts
2025-08-31T09:30:06,068   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts
2025-08-31T09:30:06,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots
2025-08-31T09:30:06,072   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots
2025-08-31T09:30:06,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn
2025-08-31T09:30:06,076   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn
2025-08-31T09:30:06,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11
2025-08-31T09:30:06,080   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11
2025-08-31T09:30:06,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21
2025-08-31T09:30:06,084   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21
2025-08-31T09:30:06,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17
2025-08-31T09:30:06,087   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17
2025-08-31T09:30:06,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-
2025-08-31T09:30:06,091   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-
2025-08-31T09:30:06,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24
2025-08-31T09:30:06,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e
2025-08-31T09:30:06,098   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e
2025-08-31T09:30:06,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p
2025-08-31T09:30:06,102   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p
2025-08-31T09:30:06,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e
2025-08-31T09:30:06,105   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e
2025-08-31T09:30:06,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e
2025-08-31T09:30:06,109   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e
2025-08-31T09:30:06,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p
2025-08-31T09:30:06,113   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p
2025-08-31T09:30:06,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p
2025-08-31T09:30:06,117   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p
2025-08-31T09:30:06,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p
2025-08-31T09:30:06,121   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p
2025-08-31T09:30:06,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e
2025-08-31T09:30:06,125   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e
2025-08-31T09:30:06,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e
2025-08-31T09:30:06,129   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e
2025-08-31T09:30:06,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p
2025-08-31T09:30:06,133   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p
2025-08-31T09:30:06,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e
2025-08-31T09:30:06,137   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e
2025-08-31T09:30:06,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p
2025-08-31T09:30:06,141   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p
2025-08-31T09:30:06,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p
2025-08-31T09:30:06,144   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p
2025-08-31T09:30:06,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e
2025-08-31T09:30:06,148   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e
2025-08-31T09:30:06,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e
2025-08-31T09:30:06,152   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e
2025-08-31T09:30:06,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p
2025-08-31T09:30:06,157   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p
2025-08-31T09:30:06,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p
2025-08-31T09:30:06,161   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p
2025-08-31T09:30:06,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p
2025-08-31T09:30:06,165   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p
2025-08-31T09:30:06,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e
2025-08-31T09:30:06,169   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e
2025-08-31T09:30:06,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e
2025-08-31T09:30:06,173   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e
2025-08-31T09:30:06,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e
2025-08-31T09:30:06,177   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e
2025-08-31T09:30:06,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e
2025-08-31T09:30:06,181   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e
2025-08-31T09:30:06,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p
2025-08-31T09:30:06,185   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p
2025-08-31T09:30:06,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e
2025-08-31T09:30:06,189   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e
2025-08-31T09:30:06,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e
2025-08-31T09:30:06,193   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e
2025-08-31T09:30:06,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p
2025-08-31T09:30:06,196   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p
2025-08-31T09:30:06,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p
2025-08-31T09:30:06,201   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p
2025-08-31T09:30:06,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e
2025-08-31T09:30:06,205   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e
2025-08-31T09:30:06,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p
2025-08-31T09:30:06,209   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p
2025-08-31T09:30:06,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p
2025-08-31T09:30:06,212   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p
2025-08-31T09:30:06,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e
2025-08-31T09:30:06,217   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e
2025-08-31T09:30:06,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p
2025-08-31T09:30:06,221   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p
2025-08-31T09:30:06,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p
2025-08-31T09:30:06,225   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p
2025-08-31T09:30:06,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e
2025-08-31T09:30:06,229   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e
2025-08-31T09:30:06,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p
2025-08-31T09:30:06,233   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p
2025-08-31T09:30:06,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p
2025-08-31T09:30:06,237   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p
2025-08-31T09:30:06,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e
2025-08-31T09:30:06,241   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e
2025-08-31T09:30:06,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e
2025-08-31T09:30:06,245   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e
2025-08-31T09:30:06,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p
2025-08-31T09:30:06,249   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p
2025-08-31T09:30:06,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e
2025-08-31T09:30:06,253   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e
2025-08-31T09:30:06,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e
2025-08-31T09:30:06,257   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e
2025-08-31T09:30:06,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p
2025-08-31T09:30:06,261   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p
2025-08-31T09:30:06,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e
2025-08-31T09:30:06,265   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e
2025-08-31T09:30:06,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p
2025-08-31T09:30:06,269   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p
2025-08-31T09:30:06,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p
2025-08-31T09:30:06,273   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p
2025-08-31T09:30:06,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e
2025-08-31T09:30:06,277   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e
2025-08-31T09:30:06,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e
2025-08-31T09:30:06,281   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e
2025-08-31T09:30:06,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p
2025-08-31T09:30:06,286   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p
2025-08-31T09:30:06,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10
2025-08-31T09:30:06,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8
2025-08-31T09:30:06,292   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8
2025-08-31T09:30:06,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4
2025-08-31T09:30:06,297   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4
2025-08-31T09:30:06,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6
2025-08-31T09:30:06,301   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6
2025-08-31T09:30:06,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9
2025-08-31T09:30:06,305   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9
2025-08-31T09:30:06,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10
2025-08-31T09:30:06,310   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10
2025-08-31T09:30:06,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2
2025-08-31T09:30:06,314   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2
2025-08-31T09:30:06,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1
2025-08-31T09:30:06,317   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1
2025-08-31T09:30:06,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7
2025-08-31T09:30:06,322   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7
2025-08-31T09:30:06,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5
2025-08-31T09:30:06,326   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5
2025-08-31T09:30:06,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2
2025-08-31T09:30:06,330   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2
2025-08-31T09:30:06,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4
2025-08-31T09:30:06,334   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4
2025-08-31T09:30:06,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10
2025-08-31T09:30:06,338   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10
2025-08-31T09:30:06,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6
2025-08-31T09:30:06,342   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6
2025-08-31T09:30:06,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7
2025-08-31T09:30:06,346   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7
2025-08-31T09:30:06,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1
2025-08-31T09:30:06,350   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1
2025-08-31T09:30:06,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8
2025-08-31T09:30:06,354   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8
2025-08-31T09:30:06,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9
2025-08-31T09:30:06,358   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9
2025-08-31T09:30:06,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5
2025-08-31T09:30:06,361   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5
2025-08-31T09:30:06,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3
2025-08-31T09:30:06,365   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3
2025-08-31T09:30:06,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3
2025-08-31T09:30:06,369   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3
2025-08-31T09:30:06,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05
2025-08-31T09:30:06,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A
2025-08-31T09:30:06,378   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A
2025-08-31T09:30:06,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:30:06,382   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:30:06,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne
2025-08-31T09:30:06,386   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne
2025-08-31T09:30:06,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20
2025-08-31T09:30:06,390   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20
2025-08-31T09:30:06,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+
2025-08-31T09:30:06,394   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+
2025-08-31T09:30:06,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2
2025-08-31T09:30:06,399   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2
2025-08-31T09:30:06,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+
2025-08-31T09:30:06,403   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+
2025-08-31T09:30:06,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12
2025-08-31T09:30:06,407   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12
2025-08-31T09:30:06,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43
2025-08-31T09:30:06,411   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43
2025-08-31T09:30:06,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48
2025-08-31T09:30:06,415   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48
2025-08-31T09:30:06,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo
2025-08-31T09:30:06,419   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo
2025-08-31T09:30:06,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp
2025-08-31T09:30:06,423   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp
2025-08-31T09:30:06,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:30:06,427   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:30:06,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm
2025-08-31T09:30:06,431   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm
2025-08-31T09:30:06,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02
2025-08-31T09:30:06,435   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02
2025-08-31T09:30:06,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:30:06,439   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:30:06,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14
2025-08-31T09:30:06,442   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14
2025-08-31T09:30:06,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:30:06,446   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:30:06,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2
2025-08-31T09:30:06,450   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2
2025-08-31T09:30:06,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe
2025-08-31T09:30:06,454   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe
2025-08-31T09:30:06,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74
2025-08-31T09:30:06,458   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74
2025-08-31T09:30:06,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s
2025-08-31T09:30:06,462   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s
2025-08-31T09:30:06,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2
2025-08-31T09:30:06,466   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2
2025-08-31T09:30:06,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:30:06,470   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:30:06,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20
2025-08-31T09:30:06,474   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20
2025-08-31T09:30:06,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:30:06,478   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:30:06,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+
2025-08-31T09:30:06,482   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+
2025-08-31T09:30:06,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68
2025-08-31T09:30:06,485   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68
2025-08-31T09:30:06,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a
2025-08-31T09:30:06,489   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a
2025-08-31T09:30:06,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67
2025-08-31T09:30:06,493   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67
2025-08-31T09:30:06,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A
2025-08-31T09:30:06,497   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A
2025-08-31T09:30:06,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h
2025-08-31T09:30:06,501   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h
2025-08-31T09:30:06,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20
2025-08-31T09:30:06,505   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20
2025-08-31T09:30:06,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6
2025-08-31T09:30:06,509   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6
2025-08-31T09:30:06,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71
2025-08-31T09:30:06,513   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71
2025-08-31T09:30:06,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+
2025-08-31T09:30:06,516   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+
2025-08-31T09:30:06,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2
2025-08-31T09:30:06,520   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2
2025-08-31T09:30:06,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1
2025-08-31T09:30:06,524   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1
2025-08-31T09:30:06,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s
2025-08-31T09:30:06,528   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s
2025-08-31T09:30:06,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8
2025-08-31T09:30:06,532   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8
2025-08-31T09:30:06,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47
2025-08-31T09:30:06,536   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47
2025-08-31T09:30:06,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si
2025-08-31T09:30:06,539   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si
2025-08-31T09:30:06,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:30:06,543   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:30:06,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc
2025-08-31T09:30:06,547   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc
2025-08-31T09:30:06,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf
2025-08-31T09:30:06,550   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf
2025-08-31T09:30:06,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21
2025-08-31T09:30:06,554   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21
2025-08-31T09:30:06,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo
2025-08-31T09:30:06,558   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo
2025-08-31T09:30:06,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco
2025-08-31T09:30:06,562   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco
2025-08-31T09:30:06,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B
2025-08-31T09:30:06,566   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B
2025-08-31T09:30:06,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39
2025-08-31T09:30:06,570   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39
2025-08-31T09:30:06,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4
2025-08-31T09:30:06,574   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4
2025-08-31T09:30:06,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg
2025-08-31T09:30:06,578   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg
2025-08-31T09:30:06,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh
2025-08-31T09:30:06,582   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh
2025-08-31T09:30:06,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A
2025-08-31T09:30:06,586   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A
2025-08-31T09:30:06,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:30:06,590   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:30:06,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k
2025-08-31T09:30:06,593   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k
2025-08-31T09:30:06,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34
2025-08-31T09:30:06,597   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34
2025-08-31T09:30:06,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o
2025-08-31T09:30:06,601   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o
2025-08-31T09:30:06,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:30:06,605   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:30:06,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59
2025-08-31T09:30:06,609   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59
2025-08-31T09:30:06,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf
2025-08-31T09:30:06,613   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf
2025-08-31T09:30:06,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4
2025-08-31T09:30:06,616   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4
2025-08-31T09:30:06,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b
2025-08-31T09:30:06,620   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b
2025-08-31T09:30:06,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3
2025-08-31T09:30:06,624   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3
2025-08-31T09:30:06,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78
2025-08-31T09:30:06,628   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78
2025-08-31T09:30:06,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3
2025-08-31T09:30:06,632   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3
2025-08-31T09:30:06,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:30:06,636   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:30:06,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4
2025-08-31T09:30:06,640   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4
2025-08-31T09:30:06,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:30:06,644   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:30:06,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p
2025-08-31T09:30:06,648   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p
2025-08-31T09:30:06,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be
2025-08-31T09:30:06,652   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be
2025-08-31T09:30:06,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:30:06,656   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:30:06,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10
2025-08-31T09:30:06,660   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10
2025-08-31T09:30:06,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B
2025-08-31T09:30:06,664   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B
2025-08-31T09:30:06,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao
2025-08-31T09:30:06,668   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao
2025-08-31T09:30:06,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A
2025-08-31T09:30:06,671   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A
2025-08-31T09:30:06,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4
2025-08-31T09:30:06,675   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4
2025-08-31T09:30:06,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:30:06,680   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:30:06,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B
2025-08-31T09:30:06,684   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B
2025-08-31T09:30:06,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic
2025-08-31T09:30:06,687   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic
2025-08-31T09:30:06,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:30:06,691   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
2025-08-31T09:30:06,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p
2025-08-31T09:30:06,695   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p
2025-08-31T09:30:06,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2
2025-08-31T09:30:06,699   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2
2025-08-31T09:30:06,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c
2025-08-31T09:30:06,703   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c
2025-08-31T09:30:06,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:30:06,707   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:30:06,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24
2025-08-31T09:30:06,710   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24
2025-08-31T09:30:06,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B
2025-08-31T09:30:06,714   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B
2025-08-31T09:30:06,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:30:06,718   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:30:06,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b
2025-08-31T09:30:06,722   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b
2025-08-31T09:30:06,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25
2025-08-31T09:30:06,725   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25
2025-08-31T09:30:06,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76
2025-08-31T09:30:06,729   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76
2025-08-31T09:30:06,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:30:06,733   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:30:06,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1
2025-08-31T09:30:06,737   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1
2025-08-31T09:30:06,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs
2025-08-31T09:30:06,741   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs
2025-08-31T09:30:06,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr
2025-08-31T09:30:06,745   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr
2025-08-31T09:30:06,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2
2025-08-31T09:30:06,750   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2
2025-08-31T09:30:06,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl
2025-08-31T09:30:06,754   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl
2025-08-31T09:30:06,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3
2025-08-31T09:30:06,757   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3
2025-08-31T09:30:06,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f
2025-08-31T09:30:06,761   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f
2025-08-31T09:30:06,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf
2025-08-31T09:30:06,765   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf
2025-08-31T09:30:06,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B
2025-08-31T09:30:06,769   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B
2025-08-31T09:30:06,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3
2025-08-31T09:30:06,772   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3
2025-08-31T09:30:06,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64
2025-08-31T09:30:06,776   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64
2025-08-31T09:30:06,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20
2025-08-31T09:30:06,780   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20
2025-08-31T09:30:06,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80
2025-08-31T09:30:06,784   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80
2025-08-31T09:30:06,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH
2025-08-31T09:30:06,789   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH
2025-08-31T09:30:06,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh
2025-08-31T09:30:06,793   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh
2025-08-31T09:30:06,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2
2025-08-31T09:30:06,797   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2
2025-08-31T09:30:06,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S
2025-08-31T09:30:06,801   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S
2025-08-31T09:30:06,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73
2025-08-31T09:30:06,805   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73
2025-08-31T09:30:06,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5
2025-08-31T09:30:06,809   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5
2025-08-31T09:30:06,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2
2025-08-31T09:30:06,812   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2
2025-08-31T09:30:06,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1
2025-08-31T09:30:06,816   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1
2025-08-31T09:30:06,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl
2025-08-31T09:30:06,820   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl
2025-08-31T09:30:06,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s
2025-08-31T09:30:06,824   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s
2025-08-31T09:30:06,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A
2025-08-31T09:30:06,828   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A
2025-08-31T09:30:06,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25
2025-08-31T09:30:06,833   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25
2025-08-31T09:30:06,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:30:06,836   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:30:06,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:30:06,841   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:30:06,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:30:06,845   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:30:06,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:30:06,849   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
2025-08-31T09:30:06,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A
2025-08-31T09:30:06,853   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A
2025-08-31T09:30:06,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+
2025-08-31T09:30:06,857   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+
2025-08-31T09:30:06,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts
2025-08-31T09:30:06,861   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts
2025-08-31T09:30:06,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2
2025-08-31T09:30:06,865   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2
2025-08-31T09:30:06,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn
2025-08-31T09:30:06,869   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn
2025-08-31T09:30:06,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2
2025-08-31T09:30:06,873   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2
2025-08-31T09:30:06,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca
2025-08-31T09:30:06,877   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca
2025-08-31T09:30:06,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13
2025-08-31T09:30:06,881   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13
2025-08-31T09:30:06,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:30:06,885   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:30:06,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2
2025-08-31T09:30:06,888   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2
2025-08-31T09:30:06,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1
2025-08-31T09:30:06,892   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1
2025-08-31T09:30:06,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr
2025-08-31T09:30:06,896   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr
2025-08-31T09:30:06,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:30:06,900   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
2025-08-31T09:30:06,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+
2025-08-31T09:30:06,904   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+
2025-08-31T09:30:06,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:30:06,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:30:06,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45
2025-08-31T09:30:06,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45
2025-08-31T09:30:06,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al
2025-08-31T09:30:06,915   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al
2025-08-31T09:30:06,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18
2025-08-31T09:30:06,919   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18
2025-08-31T09:30:06,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:30:06,923   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:30:06,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3
2025-08-31T09:30:06,927   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3
2025-08-31T09:30:06,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58
2025-08-31T09:30:06,931   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58
2025-08-31T09:30:06,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s
2025-08-31T09:30:06,935   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s
2025-08-31T09:30:06,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:30:06,939   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:30:06,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:30:06,943   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:30:06,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B
2025-08-31T09:30:06,947   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B
2025-08-31T09:30:06,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr
2025-08-31T09:30:06,951   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr
2025-08-31T09:30:06,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A
2025-08-31T09:30:06,955   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A
2025-08-31T09:30:06,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B
2025-08-31T09:30:06,959   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B
2025-08-31T09:30:06,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40
2025-08-31T09:30:06,963   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40
2025-08-31T09:30:06,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:30:06,966   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:30:06,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2
2025-08-31T09:30:06,970   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2
2025-08-31T09:30:06,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2
2025-08-31T09:30:06,974   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2
2025-08-31T09:30:06,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A
2025-08-31T09:30:06,978   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A
2025-08-31T09:30:06,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh
2025-08-31T09:30:06,982   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh
2025-08-31T09:30:06,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts
2025-08-31T09:30:06,986   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts
2025-08-31T09:30:06,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f
2025-08-31T09:30:06,989   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f
2025-08-31T09:30:06,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O
2025-08-31T09:30:06,993   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O
2025-08-31T09:30:06,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2
2025-08-31T09:30:06,997   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2
2025-08-31T09:30:06,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH
2025-08-31T09:30:07,001   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH
2025-08-31T09:30:07,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl
2025-08-31T09:30:07,004   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl
2025-08-31T09:30:07,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots
2025-08-31T09:30:07,009   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots
2025-08-31T09:30:07,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn
2025-08-31T09:30:07,012   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn
2025-08-31T09:30:07,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2
2025-08-31T09:30:07,016   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2
2025-08-31T09:30:07,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3
2025-08-31T09:30:07,020   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3
2025-08-31T09:30:07,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar
2025-08-31T09:30:07,024   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar
2025-08-31T09:30:07,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4
2025-08-31T09:30:07,028   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4
2025-08-31T09:30:07,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17
2025-08-31T09:30:07,032   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17
2025-08-31T09:30:07,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he
2025-08-31T09:30:07,036   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he
2025-08-31T09:30:07,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:30:07,040   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:30:07,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF
2025-08-31T09:30:07,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:30:07,045   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:30:07,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:30:07,049   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:30:07,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:30:07,053   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:30:07,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:30:07,056   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:30:07,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2
2025-08-31T09:30:07,060   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2
2025-08-31T09:30:07,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:30:07,064   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:30:07,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:30:07,068   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:30:07,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:30:07,072   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:30:07,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:30:07,075   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:30:07,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:30:07,080   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:30:07,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:30:07,083   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:30:07,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:30:07,087   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:30:07,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:30:07,091   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:30:07,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:30:07,095   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:30:07,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:30:07,099   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:30:07,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:30:07,102   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:30:07,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:30:07,106   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:30:07,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:30:07,110   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:30:07,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:30:07,113   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:30:07,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:30:07,117   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:30:07,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:30:07,121   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:30:07,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:30:07,125   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:30:07,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:30:07,129   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:30:07,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:30:07,132   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:30:07,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:30:07,136   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:30:07,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1
2025-08-31T09:30:07,140   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1
2025-08-31T09:30:07,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:30:07,143   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:30:07,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC
2025-08-31T09:30:07,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene
2025-08-31T09:30:07,149   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene
2025-08-31T09:30:07,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene
2025-08-31T09:30:07,153   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene
2025-08-31T09:30:07,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine
2025-08-31T09:30:07,156   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine
2025-08-31T09:30:07,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1
2025-08-31T09:30:07,160   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1
2025-08-31T09:30:07,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X
2025-08-31T09:30:07,164   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X
2025-08-31T09:30:07,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5
2025-08-31T09:30:07,168   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5
2025-08-31T09:30:07,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3
2025-08-31T09:30:07,172   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3
2025-08-31T09:30:07,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6
2025-08-31T09:30:07,176   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6
2025-08-31T09:30:07,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane
2025-08-31T09:30:07,180   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane
2025-08-31T09:30:07,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4
2025-08-31T09:30:07,183   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4
2025-08-31T09:30:07,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8
2025-08-31T09:30:07,188   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8
2025-08-31T09:30:07,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X
2025-08-31T09:30:07,192   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X
2025-08-31T09:30:07,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2
2025-08-31T09:30:07,196   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2
2025-08-31T09:30:07,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X
2025-08-31T09:30:07,200   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X
2025-08-31T09:30:07,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH
2025-08-31T09:30:07,204   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH
2025-08-31T09:30:07,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene
2025-08-31T09:30:07,208   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene
2025-08-31T09:30:07,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X
2025-08-31T09:30:07,212   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X
2025-08-31T09:30:07,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9
2025-08-31T09:30:07,216   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9
2025-08-31T09:30:07,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7
2025-08-31T09:30:07,219   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7
2025-08-31T09:30:07,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein
2025-08-31T09:30:07,223   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein
2025-08-31T09:30:07,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10
2025-08-31T09:30:07,227   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10
2025-08-31T09:30:07,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene
2025-08-31T09:30:07,231   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene
2025-08-31T09:30:07,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11
2025-08-31T09:30:07,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:30:07,237   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:30:07,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:30:07,241   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:30:07,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:30:07,245   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:30:07,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br
2025-08-31T09:30:07,249   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br
2025-08-31T09:30:07,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:30:07,253   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:30:07,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:30:07,256   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:30:07,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:30:07,260   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:30:07,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:30:07,264   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:30:07,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:30:07,268   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:30:07,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:30:07,272   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:30:07,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:30:07,276   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:30:07,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:30:07,280   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:30:07,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:30:07,284   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:30:07,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:30:07,288   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:30:07,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:30:07,292   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:30:07,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:30:07,296   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:30:07,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:30:07,300   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:30:07,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:30:07,305   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:30:07,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:30:07,309   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:30:07,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:30:07,312   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:30:07,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:30:07,316   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:30:07,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:30:07,320   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:30:07,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO
2025-08-31T09:30:07,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6
2025-08-31T09:30:07,325   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6
2025-08-31T09:30:07,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8
2025-08-31T09:30:07,329   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8
2025-08-31T09:30:07,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9
2025-08-31T09:30:07,333   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9
2025-08-31T09:30:07,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2
2025-08-31T09:30:07,337   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2
2025-08-31T09:30:07,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1
2025-08-31T09:30:07,341   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1
2025-08-31T09:30:07,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10
2025-08-31T09:30:07,345   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10
2025-08-31T09:30:07,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5
2025-08-31T09:30:07,349   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5
2025-08-31T09:30:07,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7
2025-08-31T09:30:07,353   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7
2025-08-31T09:30:07,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3
2025-08-31T09:30:07,357   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3
2025-08-31T09:30:07,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4
2025-08-31T09:30:07,361   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4
2025-08-31T09:30:07,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22
2025-08-31T09:30:07,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04
2025-08-31T09:30:07,368   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/04
2025-08-31T09:30:07,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11
2025-08-31T09:30:07,371   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/11
2025-08-31T09:30:07,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b
2025-08-31T09:30:07,375   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b
2025-08-31T09:30:07,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a
2025-08-31T09:30:07,379   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a
2025-08-31T09:30:07,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15
2025-08-31T09:30:07,382   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15
2025-08-31T09:30:07,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09
2025-08-31T09:30:07,386   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/09
2025-08-31T09:30:07,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20
2025-08-31T09:30:07,390   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20
2025-08-31T09:30:07,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b
2025-08-31T09:30:07,394   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b
2025-08-31T09:30:07,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01
2025-08-31T09:30:07,398   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/01
2025-08-31T09:30:07,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b
2025-08-31T09:30:07,401   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b
2025-08-31T09:30:07,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a
2025-08-31T09:30:07,405   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a
2025-08-31T09:30:07,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06
2025-08-31T09:30:07,409   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06
2025-08-31T09:30:07,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a
2025-08-31T09:30:07,413   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a
2025-08-31T09:30:07,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a
2025-08-31T09:30:07,417   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a
2025-08-31T09:30:07,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14
2025-08-31T09:30:07,421   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14
2025-08-31T09:30:07,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b
2025-08-31T09:30:07,425   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b
2025-08-31T09:30:07,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22
2025-08-31T09:30:07,429   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22
2025-08-31T09:30:07,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b
2025-08-31T09:30:07,433   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b
2025-08-31T09:30:07,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a
2025-08-31T09:30:07,437   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a
2025-08-31T09:30:07,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b
2025-08-31T09:30:07,440   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b
2025-08-31T09:30:07,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a
2025-08-31T09:30:07,445   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a
2025-08-31T09:30:07,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07
2025-08-31T09:30:07,449   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07
2025-08-31T09:30:07,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a
2025-08-31T09:30:07,453   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a
2025-08-31T09:30:07,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a
2025-08-31T09:30:07,456   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a
2025-08-31T09:30:07,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19
2025-08-31T09:30:07,460   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19
2025-08-31T09:30:07,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b
2025-08-31T09:30:07,464   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b
2025-08-31T09:30:07,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16
2025-08-31T09:30:07,468   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16
2025-08-31T09:30:07,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b
2025-08-31T09:30:07,472   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b
2025-08-31T09:30:07,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a
2025-08-31T09:30:07,476   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a
2025-08-31T09:30:07,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b
2025-08-31T09:30:07,480   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b
2025-08-31T09:30:07,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03
2025-08-31T09:30:07,484   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/03
2025-08-31T09:30:07,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05
2025-08-31T09:30:07,488   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/05
2025-08-31T09:30:07,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a
2025-08-31T09:30:07,492   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a
2025-08-31T09:30:07,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08
2025-08-31T09:30:07,495   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/08
2025-08-31T09:30:07,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a
2025-08-31T09:30:07,499   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a
2025-08-31T09:30:07,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a
2025-08-31T09:30:07,503   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a
2025-08-31T09:30:07,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b
2025-08-31T09:30:07,507   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b
2025-08-31T09:30:07,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10
2025-08-31T09:30:07,511   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10
2025-08-31T09:30:07,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a
2025-08-31T09:30:07,515   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a
2025-08-31T09:30:07,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a
2025-08-31T09:30:07,519   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a
2025-08-31T09:30:07,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a
2025-08-31T09:30:07,522   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a
2025-08-31T09:30:07,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b
2025-08-31T09:30:07,526   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b
2025-08-31T09:30:07,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a
2025-08-31T09:30:07,531   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a
2025-08-31T09:30:07,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12
2025-08-31T09:30:07,535   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/12
2025-08-31T09:30:07,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a
2025-08-31T09:30:07,539   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a
2025-08-31T09:30:07,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02
2025-08-31T09:30:07,542   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02
2025-08-31T09:30:07,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a
2025-08-31T09:30:07,546   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a
2025-08-31T09:30:07,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13
2025-08-31T09:30:07,550   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/13
2025-08-31T09:30:07,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b
2025-08-31T09:30:07,554   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b
2025-08-31T09:30:07,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18
2025-08-31T09:30:07,559   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18
2025-08-31T09:30:07,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a
2025-08-31T09:30:07,563   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a
2025-08-31T09:30:07,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a
2025-08-31T09:30:07,567   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a
2025-08-31T09:30:07,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a
2025-08-31T09:30:07,571   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a
2025-08-31T09:30:07,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21
2025-08-31T09:30:07,575   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21
2025-08-31T09:30:07,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b
2025-08-31T09:30:07,579   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b
2025-08-31T09:30:07,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17
2025-08-31T09:30:07,583   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17
2025-08-31T09:30:07,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a
2025-08-31T09:30:07,587   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a
2025-08-31T09:30:07,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36
2025-08-31T09:30:07,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9
2025-08-31T09:30:07,593   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9
2025-08-31T09:30:07,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4
2025-08-31T09:30:07,597   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4
2025-08-31T09:30:07,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9
2025-08-31T09:30:07,601   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9
2025-08-31T09:30:07,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13
2025-08-31T09:30:07,604   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13
2025-08-31T09:30:07,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5
2025-08-31T09:30:07,609   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5
2025-08-31T09:30:07,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4
2025-08-31T09:30:07,612   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4
2025-08-31T09:30:07,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7
2025-08-31T09:30:07,616   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7
2025-08-31T09:30:07,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8
2025-08-31T09:30:07,620   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8
2025-08-31T09:30:07,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5
2025-08-31T09:30:07,624   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5
2025-08-31T09:30:07,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5
2025-08-31T09:30:07,628   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5
2025-08-31T09:30:07,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11
2025-08-31T09:30:07,632   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11
2025-08-31T09:30:07,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10
2025-08-31T09:30:07,635   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10
2025-08-31T09:30:07,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15
2025-08-31T09:30:07,639   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15
2025-08-31T09:30:07,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1
2025-08-31T09:30:07,643   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1
2025-08-31T09:30:07,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14
2025-08-31T09:30:07,647   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14
2025-08-31T09:30:07,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4
2025-08-31T09:30:07,652   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4
2025-08-31T09:30:07,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16
2025-08-31T09:30:07,656   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16
2025-08-31T09:30:07,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13
2025-08-31T09:30:07,660   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13
2025-08-31T09:30:07,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6
2025-08-31T09:30:07,664   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6
2025-08-31T09:30:07,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3
2025-08-31T09:30:07,668   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3
2025-08-31T09:30:07,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2
2025-08-31T09:30:07,672   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2
2025-08-31T09:30:07,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6
2025-08-31T09:30:07,676   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6
2025-08-31T09:30:07,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12
2025-08-31T09:30:07,680   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12
2025-08-31T09:30:07,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11
2025-08-31T09:30:07,684   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11
2025-08-31T09:30:07,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1
2025-08-31T09:30:07,688   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1
2025-08-31T09:30:07,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3
2025-08-31T09:30:07,692   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3
2025-08-31T09:30:07,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3
2025-08-31T09:30:07,696   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3
2025-08-31T09:30:07,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2
2025-08-31T09:30:07,700   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2
2025-08-31T09:30:07,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10
2025-08-31T09:30:07,704   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10
2025-08-31T09:30:07,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6
2025-08-31T09:30:07,709   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6
2025-08-31T09:30:07,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12
2025-08-31T09:30:07,713   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12
2025-08-31T09:30:07,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15
2025-08-31T09:30:07,717   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15
2025-08-31T09:30:07,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7
2025-08-31T09:30:07,721   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7
2025-08-31T09:30:07,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14
2025-08-31T09:30:07,725   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14
2025-08-31T09:30:07,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8
2025-08-31T09:30:07,729   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8
2025-08-31T09:30:07,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1
2025-08-31T09:30:07,732   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1
2025-08-31T09:30:07,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4
2025-08-31T09:30:07,736   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4
2025-08-31T09:30:07,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2
2025-08-31T09:30:07,740   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2
2025-08-31T09:30:07,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66
2025-08-31T09:30:07,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04
2025-08-31T09:30:07,749   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04
2025-08-31T09:30:07,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A
2025-08-31T09:30:07,753   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A
2025-08-31T09:30:07,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B
2025-08-31T09:30:07,756   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B
2025-08-31T09:30:07,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B
2025-08-31T09:30:07,760   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B
2025-08-31T09:30:07,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23
2025-08-31T09:30:07,764   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23
2025-08-31T09:30:07,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A
2025-08-31T09:30:07,768   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A
2025-08-31T09:30:07,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A
2025-08-31T09:30:07,772   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A
2025-08-31T09:30:07,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B
2025-08-31T09:30:07,776   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B
2025-08-31T09:30:07,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B
2025-08-31T09:30:07,780   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B
2025-08-31T09:30:07,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B
2025-08-31T09:30:07,783   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B
2025-08-31T09:30:07,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A
2025-08-31T09:30:07,787   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A
2025-08-31T09:30:07,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43
2025-08-31T09:30:07,791   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43
2025-08-31T09:30:07,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48
2025-08-31T09:30:07,795   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48
2025-08-31T09:30:07,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A
2025-08-31T09:30:07,799   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A
2025-08-31T09:30:07,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11
2025-08-31T09:30:07,802   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11
2025-08-31T09:30:07,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B
2025-08-31T09:30:07,806   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B
2025-08-31T09:30:07,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B
2025-08-31T09:30:07,810   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B
2025-08-31T09:30:07,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A
2025-08-31T09:30:07,814   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A
2025-08-31T09:30:07,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A
2025-08-31T09:30:07,817   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A
2025-08-31T09:30:07,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A
2025-08-31T09:30:07,821   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A
2025-08-31T09:30:07,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B
2025-08-31T09:30:07,825   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B
2025-08-31T09:30:07,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A
2025-08-31T09:30:07,829   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A
2025-08-31T09:30:07,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A
2025-08-31T09:30:07,833   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A
2025-08-31T09:30:07,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A
2025-08-31T09:30:07,837   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A
2025-08-31T09:30:07,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B
2025-08-31T09:30:07,841   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B
2025-08-31T09:30:07,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31
2025-08-31T09:30:07,844   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31
2025-08-31T09:30:07,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A
2025-08-31T09:30:07,848   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A
2025-08-31T09:30:07,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B
2025-08-31T09:30:07,852   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B
2025-08-31T09:30:07,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A
2025-08-31T09:30:07,856   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A
2025-08-31T09:30:07,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B
2025-08-31T09:30:07,859   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B
2025-08-31T09:30:07,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A
2025-08-31T09:30:07,863   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A
2025-08-31T09:30:07,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15
2025-08-31T09:30:07,867   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15
2025-08-31T09:30:07,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B
2025-08-31T09:30:07,871   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B
2025-08-31T09:30:07,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09
2025-08-31T09:30:07,875   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09
2025-08-31T09:30:07,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B
2025-08-31T09:30:07,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B
2025-08-31T09:30:07,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56
2025-08-31T09:30:07,883   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56
2025-08-31T09:30:07,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B
2025-08-31T09:30:07,887   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B
2025-08-31T09:30:07,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55
2025-08-31T09:30:07,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55
2025-08-31T09:30:07,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20
2025-08-31T09:30:07,894   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20
2025-08-31T09:30:07,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A
2025-08-31T09:30:07,898   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A
2025-08-31T09:30:07,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A
2025-08-31T09:30:07,902   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A
2025-08-31T09:30:07,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B
2025-08-31T09:30:07,906   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B
2025-08-31T09:30:07,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A
2025-08-31T09:30:07,910   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A
2025-08-31T09:30:07,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A
2025-08-31T09:30:07,914   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A
2025-08-31T09:30:07,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A
2025-08-31T09:30:07,918   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A
2025-08-31T09:30:07,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36
2025-08-31T09:30:07,922   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36
2025-08-31T09:30:07,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A
2025-08-31T09:30:07,926   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A
2025-08-31T09:30:07,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01
2025-08-31T09:30:07,930   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01
2025-08-31T09:30:07,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B
2025-08-31T09:30:07,934   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B
2025-08-31T09:30:07,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47
2025-08-31T09:30:07,939   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47
2025-08-31T09:30:07,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A
2025-08-31T09:30:07,943   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A
2025-08-31T09:30:07,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B
2025-08-31T09:30:07,947   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B
2025-08-31T09:30:07,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64
2025-08-31T09:30:07,951   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64
2025-08-31T09:30:07,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06
2025-08-31T09:30:07,955   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06
2025-08-31T09:30:07,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B
2025-08-31T09:30:07,959   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B
2025-08-31T09:30:07,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32
2025-08-31T09:30:07,963   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32
2025-08-31T09:30:07,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B
2025-08-31T09:30:07,967   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B
2025-08-31T09:30:07,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B
2025-08-31T09:30:07,971   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B
2025-08-31T09:30:07,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39
2025-08-31T09:30:07,975   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39
2025-08-31T09:30:07,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A
2025-08-31T09:30:07,979   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A
2025-08-31T09:30:07,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A
2025-08-31T09:30:07,983   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A
2025-08-31T09:30:07,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A
2025-08-31T09:30:07,987   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A
2025-08-31T09:30:07,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B
2025-08-31T09:30:07,991   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B
2025-08-31T09:30:07,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B
2025-08-31T09:30:07,995   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B
2025-08-31T09:30:07,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B
2025-08-31T09:30:07,999   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B
2025-08-31T09:30:08,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14
2025-08-31T09:30:08,003   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14
2025-08-31T09:30:08,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A
2025-08-31T09:30:08,007   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A
2025-08-31T09:30:08,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A
2025-08-31T09:30:08,011   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A
2025-08-31T09:30:08,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A
2025-08-31T09:30:08,014   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A
2025-08-31T09:30:08,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34
2025-08-31T09:30:08,019   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34
2025-08-31T09:30:08,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A
2025-08-31T09:30:08,023   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A
2025-08-31T09:30:08,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38
2025-08-31T09:30:08,027   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38
2025-08-31T09:30:08,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B
2025-08-31T09:30:08,032   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B
2025-08-31T09:30:08,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22
2025-08-31T09:30:08,036   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22
2025-08-31T09:30:08,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B
2025-08-31T09:30:08,042   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B
2025-08-31T09:30:08,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B
2025-08-31T09:30:08,046   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B
2025-08-31T09:30:08,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59
2025-08-31T09:30:08,050   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59
2025-08-31T09:30:08,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B
2025-08-31T09:30:08,054   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B
2025-08-31T09:30:08,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B
2025-08-31T09:30:08,058   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B
2025-08-31T09:30:08,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B
2025-08-31T09:30:08,062   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B
2025-08-31T09:30:08,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51
2025-08-31T09:30:08,067   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51
2025-08-31T09:30:08,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A
2025-08-31T09:30:08,071   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A
2025-08-31T09:30:08,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B
2025-08-31T09:30:08,075   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B
2025-08-31T09:30:08,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60
2025-08-31T09:30:08,078   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60
2025-08-31T09:30:08,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B
2025-08-31T09:30:08,083   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B
2025-08-31T09:30:08,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B
2025-08-31T09:30:08,086   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B
2025-08-31T09:30:08,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A
2025-08-31T09:30:08,090   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A
2025-08-31T09:30:08,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B
2025-08-31T09:30:08,094   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B
2025-08-31T09:30:08,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A
2025-08-31T09:30:08,098   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A
2025-08-31T09:30:08,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07
2025-08-31T09:30:08,101   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07
2025-08-31T09:30:08,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A
2025-08-31T09:30:08,105   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A
2025-08-31T09:30:08,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A
2025-08-31T09:30:08,109   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A
2025-08-31T09:30:08,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29
2025-08-31T09:30:08,113   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29
2025-08-31T09:30:08,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B
2025-08-31T09:30:08,116   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B
2025-08-31T09:30:08,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B
2025-08-31T09:30:08,121   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B
2025-08-31T09:30:08,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A
2025-08-31T09:30:08,124   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A
2025-08-31T09:30:08,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A
2025-08-31T09:30:08,129   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A
2025-08-31T09:30:08,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B
2025-08-31T09:30:08,132   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B
2025-08-31T09:30:08,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A
2025-08-31T09:30:08,136   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A
2025-08-31T09:30:08,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A
2025-08-31T09:30:08,140   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A
2025-08-31T09:30:08,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B
2025-08-31T09:30:08,143   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B
2025-08-31T09:30:08,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B
2025-08-31T09:30:08,147   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B
2025-08-31T09:30:08,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B
2025-08-31T09:30:08,151   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B
2025-08-31T09:30:08,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A
2025-08-31T09:30:08,154   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A
2025-08-31T09:30:08,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B
2025-08-31T09:30:08,158   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B
2025-08-31T09:30:08,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19
2025-08-31T09:30:08,162   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19
2025-08-31T09:30:08,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A
2025-08-31T09:30:08,166   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A
2025-08-31T09:30:08,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A
2025-08-31T09:30:08,170   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A
2025-08-31T09:30:08,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A
2025-08-31T09:30:08,174   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A
2025-08-31T09:30:08,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B
2025-08-31T09:30:08,178   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B
2025-08-31T09:30:08,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B
2025-08-31T09:30:08,182   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B
2025-08-31T09:30:08,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24
2025-08-31T09:30:08,186   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24
2025-08-31T09:30:08,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A
2025-08-31T09:30:08,190   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A
2025-08-31T09:30:08,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54
2025-08-31T09:30:08,194   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54
2025-08-31T09:30:08,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33
2025-08-31T09:30:08,198   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33
2025-08-31T09:30:08,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25
2025-08-31T09:30:08,201   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25
2025-08-31T09:30:08,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28
2025-08-31T09:30:08,205   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28
2025-08-31T09:30:08,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35
2025-08-31T09:30:08,209   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35
2025-08-31T09:30:08,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B
2025-08-31T09:30:08,213   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B
2025-08-31T09:30:08,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50
2025-08-31T09:30:08,217   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50
2025-08-31T09:30:08,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16
2025-08-31T09:30:08,221   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16
2025-08-31T09:30:08,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26
2025-08-31T09:30:08,224   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26
2025-08-31T09:30:08,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A
2025-08-31T09:30:08,228   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A
2025-08-31T09:30:08,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A
2025-08-31T09:30:08,232   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A
2025-08-31T09:30:08,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A
2025-08-31T09:30:08,236   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A
2025-08-31T09:30:08,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A
2025-08-31T09:30:08,240   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A
2025-08-31T09:30:08,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B
2025-08-31T09:30:08,244   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B
2025-08-31T09:30:08,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03
2025-08-31T09:30:08,247   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03
2025-08-31T09:30:08,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A
2025-08-31T09:30:08,251   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A
2025-08-31T09:30:08,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B
2025-08-31T09:30:08,255   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B
2025-08-31T09:30:08,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05
2025-08-31T09:30:08,259   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05
2025-08-31T09:30:08,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52
2025-08-31T09:30:08,262   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52
2025-08-31T09:30:08,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66
2025-08-31T09:30:08,266   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66
2025-08-31T09:30:08,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08
2025-08-31T09:30:08,270   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08
2025-08-31T09:30:08,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B
2025-08-31T09:30:08,274   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B
2025-08-31T09:30:08,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B
2025-08-31T09:30:08,278   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B
2025-08-31T09:30:08,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A
2025-08-31T09:30:08,282   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A
2025-08-31T09:30:08,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B
2025-08-31T09:30:08,285   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B
2025-08-31T09:30:08,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A
2025-08-31T09:30:08,289   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A
2025-08-31T09:30:08,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B
2025-08-31T09:30:08,293   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B
2025-08-31T09:30:08,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A
2025-08-31T09:30:08,297   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A
2025-08-31T09:30:08,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10
2025-08-31T09:30:08,302   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10
2025-08-31T09:30:08,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65
2025-08-31T09:30:08,305   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65
2025-08-31T09:30:08,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B
2025-08-31T09:30:08,309   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B
2025-08-31T09:30:08,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A
2025-08-31T09:30:08,313   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A
2025-08-31T09:30:08,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B
2025-08-31T09:30:08,317   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B
2025-08-31T09:30:08,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A
2025-08-31T09:30:08,320   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A
2025-08-31T09:30:08,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B
2025-08-31T09:30:08,324   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B
2025-08-31T09:30:08,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B
2025-08-31T09:30:08,328   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B
2025-08-31T09:30:08,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41
2025-08-31T09:30:08,332   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41
2025-08-31T09:30:08,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B
2025-08-31T09:30:08,336   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B
2025-08-31T09:30:08,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37
2025-08-31T09:30:08,339   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37
2025-08-31T09:30:08,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49
2025-08-31T09:30:08,344   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49
2025-08-31T09:30:08,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12
2025-08-31T09:30:08,347   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12
2025-08-31T09:30:08,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A
2025-08-31T09:30:08,351   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A
2025-08-31T09:30:08,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02
2025-08-31T09:30:08,355   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02
2025-08-31T09:30:08,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B
2025-08-31T09:30:08,359   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B
2025-08-31T09:30:08,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13
2025-08-31T09:30:08,363   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13
2025-08-31T09:30:08,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B
2025-08-31T09:30:08,367   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B
2025-08-31T09:30:08,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B
2025-08-31T09:30:08,371   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B
2025-08-31T09:30:08,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45
2025-08-31T09:30:08,375   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45
2025-08-31T09:30:08,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62
2025-08-31T09:30:08,379   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62
2025-08-31T09:30:08,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18
2025-08-31T09:30:08,383   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18
2025-08-31T09:30:08,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B
2025-08-31T09:30:08,386   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B
2025-08-31T09:30:08,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B
2025-08-31T09:30:08,390   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B
2025-08-31T09:30:08,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58
2025-08-31T09:30:08,394   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58
2025-08-31T09:30:08,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B
2025-08-31T09:30:08,398   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B
2025-08-31T09:30:08,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A
2025-08-31T09:30:08,402   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A
2025-08-31T09:30:08,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40
2025-08-31T09:30:08,405   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40
2025-08-31T09:30:08,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63
2025-08-31T09:30:08,410   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63
2025-08-31T09:30:08,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61
2025-08-31T09:30:08,414   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61
2025-08-31T09:30:08,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A
2025-08-31T09:30:08,418   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A
2025-08-31T09:30:08,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B
2025-08-31T09:30:08,422   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B
2025-08-31T09:30:08,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A
2025-08-31T09:30:08,426   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A
2025-08-31T09:30:08,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B
2025-08-31T09:30:08,430   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B
2025-08-31T09:30:08,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A
2025-08-31T09:30:08,434   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A
2025-08-31T09:30:08,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30
2025-08-31T09:30:08,437   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30
2025-08-31T09:30:08,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21
2025-08-31T09:30:08,441   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21
2025-08-31T09:30:08,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B
2025-08-31T09:30:08,445   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B
2025-08-31T09:30:08,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A
2025-08-31T09:30:08,449   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A
2025-08-31T09:30:08,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A
2025-08-31T09:30:08,453   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A
2025-08-31T09:30:08,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27
2025-08-31T09:30:08,456   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27
2025-08-31T09:30:08,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53
2025-08-31T09:30:08,460   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53
2025-08-31T09:30:08,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44
2025-08-31T09:30:08,465   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44
2025-08-31T09:30:08,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A
2025-08-31T09:30:08,469   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A
2025-08-31T09:30:08,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42
2025-08-31T09:30:08,473   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42
2025-08-31T09:30:08,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46
2025-08-31T09:30:08,477   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46
2025-08-31T09:30:08,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A
2025-08-31T09:30:08,481   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A
2025-08-31T09:30:08,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B
2025-08-31T09:30:08,485   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B
2025-08-31T09:30:08,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A
2025-08-31T09:30:08,488   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A
2025-08-31T09:30:08,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A
2025-08-31T09:30:08,492   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A
2025-08-31T09:30:08,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57
2025-08-31T09:30:08,496   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57
2025-08-31T09:30:08,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17
2025-08-31T09:30:08,500   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17
2025-08-31T09:30:08,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B
2025-08-31T09:30:08,504   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B
2025-08-31T09:30:08,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A
2025-08-31T09:30:08,508   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A
2025-08-31T09:30:08,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A
2025-08-31T09:30:08,512   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A
2025-08-31T09:30:08,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A
2025-08-31T09:30:08,516   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A
2025-08-31T09:30:08,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B
2025-08-31T09:30:08,519   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B
2025-08-31T09:30:08,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13
2025-08-31T09:30:08,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:30:08,526   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
2025-08-31T09:30:08,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5
2025-08-31T09:30:08,530   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5
2025-08-31T09:30:08,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3
2025-08-31T09:30:08,534   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3
2025-08-31T09:30:08,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:30:08,538   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
2025-08-31T09:30:08,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:30:08,541   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
2025-08-31T09:30:08,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:30:08,545   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
2025-08-31T09:30:08,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf
2025-08-31T09:30:08,549   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf
2025-08-31T09:30:08,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6
2025-08-31T09:30:08,553   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6
2025-08-31T09:30:08,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6
2025-08-31T09:30:08,557   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6
2025-08-31T09:30:08,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:30:08,561   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
2025-08-31T09:30:08,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3
2025-08-31T09:30:08,564   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3
2025-08-31T09:30:08,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2
2025-08-31T09:30:08,568   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2
2025-08-31T09:30:08,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5
2025-08-31T09:30:08,572   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5
2025-08-31T09:30:08,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:30:08,576   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
2025-08-31T09:30:08,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:30:08,580   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
2025-08-31T09:30:08,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:30:08,584   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
2025-08-31T09:30:08,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4
2025-08-31T09:30:08,588   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4
2025-08-31T09:30:08,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3
2025-08-31T09:30:08,592   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3
2025-08-31T09:30:08,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o
2025-08-31T09:30:08,596   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o
2025-08-31T09:30:08,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:30:08,600   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
2025-08-31T09:30:08,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:30:08,603   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
2025-08-31T09:30:08,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:30:08,607   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
2025-08-31T09:30:08,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2
2025-08-31T09:30:08,611   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2
2025-08-31T09:30:08,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4
2025-08-31T09:30:08,615   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4
2025-08-31T09:30:08,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2
2025-08-31T09:30:08,618   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2
2025-08-31T09:30:08,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:30:08,622   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
2025-08-31T09:30:08,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:30:08,626   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
2025-08-31T09:30:08,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4
2025-08-31T09:30:08,630   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4
2025-08-31T09:30:08,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3
2025-08-31T09:30:08,634   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3
2025-08-31T09:30:08,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP
2025-08-31T09:30:08,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+
2025-08-31T09:30:08,641   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+
2025-08-31T09:30:08,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68
2025-08-31T09:30:08,645   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68
2025-08-31T09:30:08,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+
2025-08-31T09:30:08,649   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+
2025-08-31T09:30:08,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43
2025-08-31T09:30:08,653   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43
2025-08-31T09:30:08,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48
2025-08-31T09:30:08,657   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48
2025-08-31T09:30:08,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11
2025-08-31T09:30:08,660   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11
2025-08-31T09:30:08,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62
2025-08-31T09:30:08,664   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62
2025-08-31T09:30:08,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n
2025-08-31T09:30:08,668   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n
2025-08-31T09:30:08,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li
2025-08-31T09:30:08,672   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li
2025-08-31T09:30:08,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74
2025-08-31T09:30:08,676   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74
2025-08-31T09:30:08,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+
2025-08-31T09:30:08,680   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+
2025-08-31T09:30:08,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67
2025-08-31T09:30:08,684   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67
2025-08-31T09:30:08,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h
2025-08-31T09:30:08,688   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h
2025-08-31T09:30:08,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20
2025-08-31T09:30:08,692   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20
2025-08-31T09:30:08,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71
2025-08-31T09:30:08,696   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71
2025-08-31T09:30:08,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s
2025-08-31T09:30:08,700   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s
2025-08-31T09:30:08,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8
2025-08-31T09:30:08,704   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8
2025-08-31T09:30:08,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si
2025-08-31T09:30:08,708   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si
2025-08-31T09:30:08,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na
2025-08-31T09:30:08,712   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na
2025-08-31T09:30:08,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg
2025-08-31T09:30:08,715   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg
2025-08-31T09:30:08,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+
2025-08-31T09:30:08,719   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+
2025-08-31T09:30:08,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60
2025-08-31T09:30:08,723   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60
2025-08-31T09:30:08,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14
2025-08-31T09:30:08,727   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14
2025-08-31T09:30:08,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73
2025-08-31T09:30:08,731   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73
2025-08-31T09:30:08,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34
2025-08-31T09:30:08,735   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34
2025-08-31T09:30:08,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o
2025-08-31T09:30:08,739   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o
2025-08-31T09:30:08,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22
2025-08-31T09:30:08,743   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22
2025-08-31T09:30:08,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59
2025-08-31T09:30:08,747   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59
2025-08-31T09:30:08,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+
2025-08-31T09:30:08,750   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+
2025-08-31T09:30:08,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51
2025-08-31T09:30:08,754   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51
2025-08-31T09:30:08,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78
2025-08-31T09:30:08,758   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78
2025-08-31T09:30:08,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75
2025-08-31T09:30:08,762   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75
2025-08-31T09:30:08,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+
2025-08-31T09:30:08,765   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+
2025-08-31T09:30:08,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be
2025-08-31T09:30:08,769   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be
2025-08-31T09:30:08,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+
2025-08-31T09:30:08,773   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+
2025-08-31T09:30:08,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65
2025-08-31T09:30:08,777   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65
2025-08-31T09:30:08,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p
2025-08-31T09:30:08,781   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p
2025-08-31T09:30:08,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66
2025-08-31T09:30:08,785   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66
2025-08-31T09:30:08,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c
2025-08-31T09:30:08,790   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c
2025-08-31T09:30:08,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19
2025-08-31T09:30:08,794   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19
2025-08-31T09:30:08,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b
2025-08-31T09:30:08,797   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b
2025-08-31T09:30:08,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25
2025-08-31T09:30:08,801   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25
2025-08-31T09:30:08,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+
2025-08-31T09:30:08,805   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+
2025-08-31T09:30:08,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76
2025-08-31T09:30:08,809   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76
2025-08-31T09:30:08,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26
2025-08-31T09:30:08,813   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26
2025-08-31T09:30:08,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl
2025-08-31T09:30:08,817   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl
2025-08-31T09:30:08,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f
2025-08-31T09:30:08,820   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f
2025-08-31T09:30:08,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64
2025-08-31T09:30:08,824   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64
2025-08-31T09:30:08,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+
2025-08-31T09:30:08,827   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+
2025-08-31T09:30:08,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80
2025-08-31T09:30:08,831   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80
2025-08-31T09:30:08,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137
2025-08-31T09:30:08,835   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137
2025-08-31T09:30:08,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79
2025-08-31T09:30:08,838   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79
2025-08-31T09:30:08,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+
2025-08-31T09:30:08,842   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+
2025-08-31T09:30:08,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+
2025-08-31T09:30:08,845   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+
2025-08-31T09:30:08,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61
2025-08-31T09:30:08,850   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61
2025-08-31T09:30:08,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+
2025-08-31T09:30:08,853   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+
2025-08-31T09:30:08,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37
2025-08-31T09:30:08,857   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37
2025-08-31T09:30:08,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12
2025-08-31T09:30:08,861   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12
2025-08-31T09:30:08,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13
2025-08-31T09:30:08,865   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13
2025-08-31T09:30:08,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+
2025-08-31T09:30:08,869   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+
2025-08-31T09:30:08,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45
2025-08-31T09:30:08,872   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45
2025-08-31T09:30:08,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al
2025-08-31T09:30:08,876   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al
2025-08-31T09:30:08,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77
2025-08-31T09:30:08,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77
2025-08-31T09:30:08,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18
2025-08-31T09:30:08,883   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18
2025-08-31T09:30:08,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72
2025-08-31T09:30:08,887   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72
2025-08-31T09:30:08,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70
2025-08-31T09:30:08,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70
2025-08-31T09:30:08,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63
2025-08-31T09:30:08,895   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63
2025-08-31T09:30:08,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30
2025-08-31T09:30:08,899   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30
2025-08-31T09:30:08,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65
2025-08-31T09:30:08,903   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65
2025-08-31T09:30:08,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44
2025-08-31T09:30:08,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44
2025-08-31T09:30:08,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+
2025-08-31T09:30:08,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+
2025-08-31T09:30:08,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF
2025-08-31T09:30:08,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7
2025-08-31T09:30:08,917   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7
2025-08-31T09:30:08,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2
2025-08-31T09:30:08,921   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2
2025-08-31T09:30:08,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1
2025-08-31T09:30:08,925   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1
2025-08-31T09:30:08,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11
2025-08-31T09:30:08,928   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11
2025-08-31T09:30:08,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4
2025-08-31T09:30:08,932   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4
2025-08-31T09:30:08,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10
2025-08-31T09:30:08,936   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10
2025-08-31T09:30:08,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3
2025-08-31T09:30:08,939   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3
2025-08-31T09:30:08,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4
2025-08-31T09:30:08,943   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4
2025-08-31T09:30:08,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15
2025-08-31T09:30:08,947   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15
2025-08-31T09:30:08,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6
2025-08-31T09:30:08,951   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6
2025-08-31T09:30:08,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1
2025-08-31T09:30:08,954   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1
2025-08-31T09:30:08,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8
2025-08-31T09:30:08,958   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8
2025-08-31T09:30:08,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12
2025-08-31T09:30:08,962   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12
2025-08-31T09:30:08,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14
2025-08-31T09:30:08,966   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14
2025-08-31T09:30:08,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13
2025-08-31T09:30:08,970   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13
2025-08-31T09:30:08,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9
2025-08-31T09:30:08,974   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9
2025-08-31T09:30:08,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3
2025-08-31T09:30:08,978   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3
2025-08-31T09:30:08,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5
2025-08-31T09:30:08,982   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5
2025-08-31T09:30:08,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2
2025-08-31T09:30:08,985   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2
2025-08-31T09:30:08,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel
2025-08-31T09:30:08,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42
2025-08-31T09:30:08,991   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42
2025-08-31T09:30:08,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:30:08,995   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:30:08,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1
2025-08-31T09:30:09,000   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1
2025-08-31T09:30:09,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0
2025-08-31T09:30:09,004   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0
2025-08-31T09:30:09,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0
2025-08-31T09:30:09,008   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0
2025-08-31T09:30:09,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42
2025-08-31T09:30:09,012   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42
2025-08-31T09:30:09,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2
2025-08-31T09:30:09,016   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2
2025-08-31T09:30:09,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71
2025-08-31T09:30:09,020   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71
2025-08-31T09:30:09,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41
2025-08-31T09:30:09,024   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41
2025-08-31T09:30:09,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:30:09,028   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:30:09,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2
2025-08-31T09:30:09,032   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2
2025-08-31T09:30:09,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0
2025-08-31T09:30:09,036   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0
2025-08-31T09:30:09,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72
2025-08-31T09:30:09,040   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72
2025-08-31T09:30:09,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43
2025-08-31T09:30:09,043   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43
2025-08-31T09:30:09,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71
2025-08-31T09:30:09,047   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71
2025-08-31T09:30:09,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:30:09,051   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:30:09,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0
2025-08-31T09:30:09,054   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0
2025-08-31T09:30:09,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1
2025-08-31T09:30:09,058   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1
2025-08-31T09:30:09,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72
2025-08-31T09:30:09,062   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72
2025-08-31T09:30:09,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2
2025-08-31T09:30:09,065   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2
2025-08-31T09:30:09,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4
2025-08-31T09:30:09,070   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4
2025-08-31T09:30:09,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2
2025-08-31T09:30:09,073   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2
2025-08-31T09:30:09,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41
2025-08-31T09:30:09,077   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41
2025-08-31T09:30:09,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3
2025-08-31T09:30:09,081   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3
2025-08-31T09:30:09,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3
2025-08-31T09:30:09,085   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3
2025-08-31T09:30:09,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2
2025-08-31T09:30:09,089   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2
2025-08-31T09:30:09,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41
2025-08-31T09:30:09,093   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41
2025-08-31T09:30:09,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1
2025-08-31T09:30:09,097   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1
2025-08-31T09:30:09,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0
2025-08-31T09:30:09,101   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0
2025-08-31T09:30:09,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3
2025-08-31T09:30:09,105   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3
2025-08-31T09:30:09,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42
2025-08-31T09:30:09,109   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42
2025-08-31T09:30:09,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6
2025-08-31T09:30:09,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2
2025-08-31T09:30:09,114   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2
2025-08-31T09:30:09,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4
2025-08-31T09:30:09,118   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4
2025-08-31T09:30:09,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5
2025-08-31T09:30:09,122   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5
2025-08-31T09:30:09,125   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6
2025-08-31T09:30:09,126   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6
2025-08-31T09:30:09,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2
2025-08-31T09:30:09,130   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2
2025-08-31T09:30:09,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5
2025-08-31T09:30:09,133   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5
2025-08-31T09:30:09,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7
2025-08-31T09:30:09,137   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7
2025-08-31T09:30:09,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7
2025-08-31T09:30:09,141   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7
2025-08-31T09:30:09,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3
2025-08-31T09:30:09,145   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3
2025-08-31T09:30:09,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6
2025-08-31T09:30:09,149   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6
2025-08-31T09:30:09,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3
2025-08-31T09:30:09,153   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3
2025-08-31T09:30:09,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4
2025-08-31T09:30:09,157   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4
2025-08-31T09:30:09,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21
2025-08-31T09:30:09,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470
2025-08-31T09:30:09,162   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470
2025-08-31T09:30:09,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691
2025-08-31T09:30:09,166   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691
2025-08-31T09:30:09,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:30:09,170   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:30:09,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224
2025-08-31T09:30:09,174   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224
2025-08-31T09:30:09,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:30:09,178   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:30:09,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366
2025-08-31T09:30:09,182   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366
2025-08-31T09:30:09,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300
2025-08-31T09:30:09,186   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300
2025-08-31T09:30:09,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:30:09,189   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:30:09,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:30:09,193   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:30:09,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412
2025-08-31T09:30:09,197   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412
2025-08-31T09:30:09,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99
2025-08-31T09:30:09,201   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99
2025-08-31T09:30:09,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:30:09,205   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:30:09,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357
2025-08-31T09:30:09,209   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357
2025-08-31T09:30:09,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b
2025-08-31T09:30:09,213   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b
2025-08-31T09:30:09,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:30:09,216   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:30:09,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114
2025-08-31T09:30:09,220   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114
2025-08-31T09:30:09,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:30:09,224   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:30:09,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444
2025-08-31T09:30:09,228   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444
2025-08-31T09:30:09,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:30:09,232   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:30:09,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:30:09,236   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:30:09,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215
2025-08-31T09:30:09,240   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215
2025-08-31T09:30:09,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10
2025-08-31T09:30:09,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:30:09,246   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:30:09,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:30:09,250   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:30:09,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:30:09,255   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:30:09,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:30:09,259   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:30:09,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:30:09,263   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:30:09,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:30:09,267   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:30:09,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:30:09,270   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:30:09,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:30:09,274   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:30:09,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg
2025-08-31T09:30:09,278   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg
2025-08-31T09:30:09,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:30:09,282   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:30:09,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:30:09,286   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:30:09,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be
2025-08-31T09:30:09,290   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be
2025-08-31T09:30:09,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:30:09,294   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:30:09,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:30:09,298   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:30:09,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s
2025-08-31T09:30:09,302   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s
2025-08-31T09:30:09,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3
2025-08-31T09:30:09,305   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3
2025-08-31T09:30:09,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:30:09,309   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:30:09,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:30:09,313   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:30:09,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:30:09,318   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:30:09,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3
2025-08-31T09:30:09,321   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3
2025-08-31T09:30:09,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11
2025-08-31T09:30:09,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn
2025-08-31T09:30:09,330   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn
2025-08-31T09:30:09,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn
2025-08-31T09:30:09,334   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn
2025-08-31T09:30:09,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f
2025-08-31T09:30:09,337   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f
2025-08-31T09:30:09,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf
2025-08-31T09:30:09,341   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf
2025-08-31T09:30:09,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo
2025-08-31T09:30:09,345   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
2025-08-31T09:30:09,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2
2025-08-31T09:30:09,349   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2
2025-08-31T09:30:09,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3
2025-08-31T09:30:09,353   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3
2025-08-31T09:30:09,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn
2025-08-31T09:30:09,357   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn
2025-08-31T09:30:09,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf
2025-08-31T09:30:09,361   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf
2025-08-31T09:30:09,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2
2025-08-31T09:30:09,365   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2
2025-08-31T09:30:09,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo
2025-08-31T09:30:09,369   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo
2025-08-31T09:30:09,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:30:09,373   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
2025-08-31T09:30:09,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf
2025-08-31T09:30:09,378   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf
2025-08-31T09:30:09,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o
2025-08-31T09:30:09,382   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o
2025-08-31T09:30:09,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:30:09,386   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
2025-08-31T09:30:09,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n
2025-08-31T09:30:09,390   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n
2025-08-31T09:30:09,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2
2025-08-31T09:30:09,393   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2
2025-08-31T09:30:09,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:30:09,397   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
2025-08-31T09:30:09,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco
2025-08-31T09:30:09,401   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco
2025-08-31T09:30:09,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh
2025-08-31T09:30:09,405   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh
2025-08-31T09:30:09,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc
2025-08-31T09:30:09,409   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc
2025-08-31T09:30:09,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi
2025-08-31T09:30:09,413   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi
2025-08-31T09:30:09,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2
2025-08-31T09:30:09,416   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2
2025-08-31T09:30:09,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4
2025-08-31T09:30:09,420   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4
2025-08-31T09:30:09,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio
2025-08-31T09:30:09,424   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio
2025-08-31T09:30:09,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o
2025-08-31T09:30:09,429   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o
2025-08-31T09:30:09,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:30:09,433   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:30:09,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs
2025-08-31T09:30:09,437   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs
2025-08-31T09:30:09,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h
2025-08-31T09:30:09,440   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h
2025-08-31T09:30:09,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene
2025-08-31T09:30:09,444   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene
2025-08-31T09:30:09,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo
2025-08-31T09:30:09,448   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
2025-08-31T09:30:09,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne
2025-08-31T09:30:09,452   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne
2025-08-31T09:30:09,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn
2025-08-31T09:30:09,456   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn
2025-08-31T09:30:09,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:30:09,459   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
2025-08-31T09:30:09,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s
2025-08-31T09:30:09,463   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s
2025-08-31T09:30:09,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si
2025-08-31T09:30:09,467   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si
2025-08-31T09:30:09,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh
2025-08-31T09:30:09,471   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh
2025-08-31T09:30:09,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc
2025-08-31T09:30:09,475   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc
2025-08-31T09:30:09,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3
2025-08-31T09:30:09,479   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3
2025-08-31T09:30:09,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs
2025-08-31T09:30:09,483   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs
2025-08-31T09:30:09,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf
2025-08-31T09:30:09,487   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf
2025-08-31T09:30:09,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo
2025-08-31T09:30:09,490   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo
2025-08-31T09:30:09,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco
2025-08-31T09:30:09,494   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco
2025-08-31T09:30:09,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf
2025-08-31T09:30:09,498   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf
2025-08-31T09:30:09,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2
2025-08-31T09:30:09,502   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2
2025-08-31T09:30:09,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic
2025-08-31T09:30:09,505   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic
2025-08-31T09:30:09,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh
2025-08-31T09:30:09,509   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh
2025-08-31T09:30:09,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co
2025-08-31T09:30:09,513   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co
2025-08-31T09:30:09,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o
2025-08-31T09:30:09,517   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o
2025-08-31T09:30:09,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh
2025-08-31T09:30:09,520   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh
2025-08-31T09:30:09,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4
2025-08-31T09:30:09,524   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4
2025-08-31T09:30:09,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2
2025-08-31T09:30:09,528   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2
2025-08-31T09:30:09,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf
2025-08-31T09:30:09,532   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf
2025-08-31T09:30:09,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4
2025-08-31T09:30:09,536   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4
2025-08-31T09:30:09,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh
2025-08-31T09:30:09,540   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh
2025-08-31T09:30:09,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh
2025-08-31T09:30:09,544   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh
2025-08-31T09:30:09,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf
2025-08-31T09:30:09,548   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf
2025-08-31T09:30:09,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2
2025-08-31T09:30:09,552   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2
2025-08-31T09:30:09,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch
2025-08-31T09:30:09,555   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch
2025-08-31T09:30:09,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so
2025-08-31T09:30:09,559   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so
2025-08-31T09:30:09,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof
2025-08-31T09:30:09,563   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof
2025-08-31T09:30:09,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3
2025-08-31T09:30:09,566   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3
2025-08-31T09:30:09,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3
2025-08-31T09:30:09,570   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3
2025-08-31T09:30:09,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h
2025-08-31T09:30:09,574   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h
2025-08-31T09:30:09,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6
2025-08-31T09:30:09,578   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6
2025-08-31T09:30:09,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2
2025-08-31T09:30:09,582   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2
2025-08-31T09:30:09,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be
2025-08-31T09:30:09,586   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be
2025-08-31T09:30:09,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof
2025-08-31T09:30:09,590   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof
2025-08-31T09:30:09,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o
2025-08-31T09:30:09,594   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o
2025-08-31T09:30:09,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo
2025-08-31T09:30:09,598   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo
2025-08-31T09:30:09,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3
2025-08-31T09:30:09,602   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3
2025-08-31T09:30:09,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p
2025-08-31T09:30:09,606   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p
2025-08-31T09:30:09,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic
2025-08-31T09:30:09,610   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic
2025-08-31T09:30:09,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif
2025-08-31T09:30:09,614   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif
2025-08-31T09:30:09,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c
2025-08-31T09:30:09,617   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c
2025-08-31T09:30:09,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2
2025-08-31T09:30:09,621   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2
2025-08-31T09:30:09,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f
2025-08-31T09:30:09,625   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f
2025-08-31T09:30:09,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene
2025-08-31T09:30:09,628   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene
2025-08-31T09:30:09,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol
2025-08-31T09:30:09,632   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol
2025-08-31T09:30:09,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3
2025-08-31T09:30:09,636   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3
2025-08-31T09:30:09,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:30:09,640   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
2025-08-31T09:30:09,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b
2025-08-31T09:30:09,643   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b
2025-08-31T09:30:09,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof
2025-08-31T09:30:09,647   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof
2025-08-31T09:30:09,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono
2025-08-31T09:30:09,652   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
2025-08-31T09:30:09,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:30:09,655   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
2025-08-31T09:30:09,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2
2025-08-31T09:30:09,659   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2
2025-08-31T09:30:09,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl
2025-08-31T09:30:09,663   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl
2025-08-31T09:30:09,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f
2025-08-31T09:30:09,666   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f
2025-08-31T09:30:09,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o
2025-08-31T09:30:09,670   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o
2025-08-31T09:30:09,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2
2025-08-31T09:30:09,674   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2
2025-08-31T09:30:09,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn
2025-08-31T09:30:09,678   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn
2025-08-31T09:30:09,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4
2025-08-31T09:30:09,682   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4
2025-08-31T09:30:09,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f
2025-08-31T09:30:09,686   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f
2025-08-31T09:30:09,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene
2025-08-31T09:30:09,690   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene
2025-08-31T09:30:09,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4
2025-08-31T09:30:09,694   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4
2025-08-31T09:30:09,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2
2025-08-31T09:30:09,698   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2
2025-08-31T09:30:09,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2
2025-08-31T09:30:09,702   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2
2025-08-31T09:30:09,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:30:09,707   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
2025-08-31T09:30:09,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl
2025-08-31T09:30:09,711   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl
2025-08-31T09:30:09,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo
2025-08-31T09:30:09,716   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo
2025-08-31T09:30:09,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2
2025-08-31T09:30:09,722   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2
2025-08-31T09:30:09,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2
2025-08-31T09:30:09,727   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2
2025-08-31T09:30:09,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:30:09,731   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:30:09,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh
2025-08-31T09:30:09,735   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh
2025-08-31T09:30:09,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2
2025-08-31T09:30:09,739   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2
2025-08-31T09:30:09,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh
2025-08-31T09:30:09,743   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh
2025-08-31T09:30:09,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl
2025-08-31T09:30:09,748   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl
2025-08-31T09:30:09,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s
2025-08-31T09:30:09,752   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s
2025-08-31T09:30:09,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3
2025-08-31T09:30:09,756   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3
2025-08-31T09:30:09,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch
2025-08-31T09:30:09,760   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch
2025-08-31T09:30:09,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl
2025-08-31T09:30:09,764   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl
2025-08-31T09:30:09,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane
2025-08-31T09:30:09,768   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane
2025-08-31T09:30:09,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch
2025-08-31T09:30:09,772   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch
2025-08-31T09:30:09,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs
2025-08-31T09:30:09,776   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs
2025-08-31T09:30:09,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6
2025-08-31T09:30:09,780   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6
2025-08-31T09:30:09,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn
2025-08-31T09:30:09,784   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn
2025-08-31T09:30:09,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2
2025-08-31T09:30:09,787   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2
2025-08-31T09:30:09,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3
2025-08-31T09:30:09,791   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3
2025-08-31T09:30:09,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2
2025-08-31T09:30:09,795   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2
2025-08-31T09:30:09,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih
2025-08-31T09:30:09,798   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih
2025-08-31T09:30:09,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co
2025-08-31T09:30:09,802   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co
2025-08-31T09:30:09,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6
2025-08-31T09:30:09,806   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6
2025-08-31T09:30:09,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al
2025-08-31T09:30:09,810   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al
2025-08-31T09:30:09,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2
2025-08-31T09:30:09,814   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2
2025-08-31T09:30:09,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3
2025-08-31T09:30:09,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3
2025-08-31T09:30:09,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4
2025-08-31T09:30:09,821   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4
2025-08-31T09:30:09,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2
2025-08-31T09:30:09,825   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2
2025-08-31T09:30:09,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4
2025-08-31T09:30:09,829   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4
2025-08-31T09:30:09,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn
2025-08-31T09:30:09,833   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn
2025-08-31T09:30:09,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono
2025-08-31T09:30:09,837   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
2025-08-31T09:30:09,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no
2025-08-31T09:30:09,841   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no
2025-08-31T09:30:09,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3
2025-08-31T09:30:09,844   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3
2025-08-31T09:30:09,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:30:09,848   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:30:09,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of
2025-08-31T09:30:09,852   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of
2025-08-31T09:30:09,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o
2025-08-31T09:30:09,855   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o
2025-08-31T09:30:09,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh
2025-08-31T09:30:09,859   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh
2025-08-31T09:30:09,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2
2025-08-31T09:30:09,863   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2
2025-08-31T09:30:09,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co
2025-08-31T09:30:09,867   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co
2025-08-31T09:30:09,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane
2025-08-31T09:30:09,871   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane
2025-08-31T09:30:09,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f
2025-08-31T09:30:09,875   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f
2025-08-31T09:30:09,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal
2025-08-31T09:30:09,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal
2025-08-31T09:30:09,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl
2025-08-31T09:30:09,882   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl
2025-08-31T09:30:09,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno
2025-08-31T09:30:09,886   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno
2025-08-31T09:30:09,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn
2025-08-31T09:30:09,890   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn
2025-08-31T09:30:09,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2
2025-08-31T09:30:09,893   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2
2025-08-31T09:30:09,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol
2025-08-31T09:30:09,897   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol
2025-08-31T09:30:09,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene
2025-08-31T09:30:09,901   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene
2025-08-31T09:30:09,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3
2025-08-31T09:30:09,905   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3
2025-08-31T09:30:09,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane
2025-08-31T09:30:09,909   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane
2025-08-31T09:30:09,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c
2025-08-31T09:30:09,913   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c
2025-08-31T09:30:09,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2
2025-08-31T09:30:09,917   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2
2025-08-31T09:30:09,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno
2025-08-31T09:30:09,921   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno
2025-08-31T09:30:09,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15
2025-08-31T09:30:09,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c
2025-08-31T09:30:09,927   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c
2025-08-31T09:30:09,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c
2025-08-31T09:30:09,932   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c
2025-08-31T09:30:09,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c
2025-08-31T09:30:09,936   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c
2025-08-31T09:30:09,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a
2025-08-31T09:30:09,940   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a
2025-08-31T09:30:09,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b
2025-08-31T09:30:09,944   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b
2025-08-31T09:30:09,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a
2025-08-31T09:30:09,948   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a
2025-08-31T09:30:09,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b
2025-08-31T09:30:09,952   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b
2025-08-31T09:30:09,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a
2025-08-31T09:30:09,955   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a
2025-08-31T09:30:09,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a
2025-08-31T09:30:09,959   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a
2025-08-31T09:30:09,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b
2025-08-31T09:30:09,963   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b
2025-08-31T09:30:09,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d
2025-08-31T09:30:09,967   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d
2025-08-31T09:30:09,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b
2025-08-31T09:30:09,971   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b
2025-08-31T09:30:09,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a
2025-08-31T09:30:09,975   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a
2025-08-31T09:30:09,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b
2025-08-31T09:30:09,979   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b
2025-08-31T09:30:09,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a
2025-08-31T09:30:09,983   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a
2025-08-31T09:30:09,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b
2025-08-31T09:30:09,987   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b
2025-08-31T09:30:09,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b
2025-08-31T09:30:09,991   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b
2025-08-31T09:30:09,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b
2025-08-31T09:30:09,995   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b
2025-08-31T09:30:09,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a
2025-08-31T09:30:10,000   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a
2025-08-31T09:30:10,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a
2025-08-31T09:30:10,004   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a
2025-08-31T09:30:10,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a
2025-08-31T09:30:10,007   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a
2025-08-31T09:30:10,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b
2025-08-31T09:30:10,011   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b
2025-08-31T09:30:10,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a
2025-08-31T09:30:10,015   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a
2025-08-31T09:30:10,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d
2025-08-31T09:30:10,019   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d
2025-08-31T09:30:10,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b
2025-08-31T09:30:10,023   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b
2025-08-31T09:30:10,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43
2025-08-31T09:30:10,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04
2025-08-31T09:30:10,029   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04
2025-08-31T09:30:10,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23
2025-08-31T09:30:10,033   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23
2025-08-31T09:30:10,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43
2025-08-31T09:30:10,037   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43
2025-08-31T09:30:10,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11
2025-08-31T09:30:10,041   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11
2025-08-31T09:30:10,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4
2025-08-31T09:30:10,045   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4
2025-08-31T09:30:10,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2
2025-08-31T09:30:10,049   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2
2025-08-31T09:30:10,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31
2025-08-31T09:30:10,053   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31
2025-08-31T09:30:10,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15
2025-08-31T09:30:10,059   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15
2025-08-31T09:30:10,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09
2025-08-31T09:30:10,062   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09
2025-08-31T09:30:10,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20
2025-08-31T09:30:10,066   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20
2025-08-31T09:30:10,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36
2025-08-31T09:30:10,070   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36
2025-08-31T09:30:10,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01
2025-08-31T09:30:10,074   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01
2025-08-31T09:30:10,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06
2025-08-31T09:30:10,078   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06
2025-08-31T09:30:10,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32
2025-08-31T09:30:10,082   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32
2025-08-31T09:30:10,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39
2025-08-31T09:30:10,086   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39
2025-08-31T09:30:10,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4
2025-08-31T09:30:10,090   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4
2025-08-31T09:30:10,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2
2025-08-31T09:30:10,094   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2
2025-08-31T09:30:10,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2
2025-08-31T09:30:10,097   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2
2025-08-31T09:30:10,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14
2025-08-31T09:30:10,101   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14
2025-08-31T09:30:10,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2
2025-08-31T09:30:10,105   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2
2025-08-31T09:30:10,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34
2025-08-31T09:30:10,109   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34
2025-08-31T09:30:10,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH
2025-08-31T09:30:10,113   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH
2025-08-31T09:30:10,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38
2025-08-31T09:30:10,117   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38
2025-08-31T09:30:10,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22
2025-08-31T09:30:10,121   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22
2025-08-31T09:30:10,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2
2025-08-31T09:30:10,124   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2
2025-08-31T09:30:10,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2
2025-08-31T09:30:10,128   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2
2025-08-31T09:30:10,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH
2025-08-31T09:30:10,132   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH
2025-08-31T09:30:10,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07
2025-08-31T09:30:10,136   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07
2025-08-31T09:30:10,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2
2025-08-31T09:30:10,140   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2
2025-08-31T09:30:10,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29
2025-08-31T09:30:10,143   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29
2025-08-31T09:30:10,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19
2025-08-31T09:30:10,147   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19
2025-08-31T09:30:10,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24
2025-08-31T09:30:10,151   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24
2025-08-31T09:30:10,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33
2025-08-31T09:30:10,155   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33
2025-08-31T09:30:10,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25
2025-08-31T09:30:10,159   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25
2025-08-31T09:30:10,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28
2025-08-31T09:30:10,162   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28
2025-08-31T09:30:10,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35
2025-08-31T09:30:10,166   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35
2025-08-31T09:30:10,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16
2025-08-31T09:30:10,170   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16
2025-08-31T09:30:10,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26
2025-08-31T09:30:10,174   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26
2025-08-31T09:30:10,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03
2025-08-31T09:30:10,178   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03
2025-08-31T09:30:10,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05
2025-08-31T09:30:10,182   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05
2025-08-31T09:30:10,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2
2025-08-31T09:30:10,185   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2
2025-08-31T09:30:10,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08
2025-08-31T09:30:10,189   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08
2025-08-31T09:30:10,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10
2025-08-31T09:30:10,193   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10
2025-08-31T09:30:10,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41
2025-08-31T09:30:10,196   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41
2025-08-31T09:30:10,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3
2025-08-31T09:30:10,200   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3
2025-08-31T09:30:10,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37
2025-08-31T09:30:10,204   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37
2025-08-31T09:30:10,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12
2025-08-31T09:30:10,208   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12
2025-08-31T09:30:10,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02
2025-08-31T09:30:10,212   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02
2025-08-31T09:30:10,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13
2025-08-31T09:30:10,216   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13
2025-08-31T09:30:10,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18
2025-08-31T09:30:10,220   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18
2025-08-31T09:30:10,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40
2025-08-31T09:30:10,225   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40
2025-08-31T09:30:10,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2
2025-08-31T09:30:10,228   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2
2025-08-31T09:30:10,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30
2025-08-31T09:30:10,232   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30
2025-08-31T09:30:10,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21
2025-08-31T09:30:10,236   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21
2025-08-31T09:30:10,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27
2025-08-31T09:30:10,240   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27
2025-08-31T09:30:10,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3
2025-08-31T09:30:10,244   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3
2025-08-31T09:30:10,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42
2025-08-31T09:30:10,248   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42
2025-08-31T09:30:10,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17
2025-08-31T09:30:10,252   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17
2025-08-31T09:30:10,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC
2025-08-31T09:30:10,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:30:10,260   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:30:10,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:30:10,264   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:30:10,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02
2025-08-31T09:30:10,267   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02
2025-08-31T09:30:10,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:30:10,271   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:30:10,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o
2025-08-31T09:30:10,275   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o
2025-08-31T09:30:10,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2
2025-08-31T09:30:10,279   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2
2025-08-31T09:30:10,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05
2025-08-31T09:30:10,283   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05
2025-08-31T09:30:10,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08
2025-08-31T09:30:10,287   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08
2025-08-31T09:30:10,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18
2025-08-31T09:30:10,291   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18
2025-08-31T09:30:10,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h
2025-08-31T09:30:10,295   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h
2025-08-31T09:30:10,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:30:10,298   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:30:10,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06
2025-08-31T09:30:10,302   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06
2025-08-31T09:30:10,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2
2025-08-31T09:30:10,306   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2
2025-08-31T09:30:10,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:30:10,310   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:30:10,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5
2025-08-31T09:30:10,314   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5
2025-08-31T09:30:10,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15
2025-08-31T09:30:10,318   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15
2025-08-31T09:30:10,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:30:10,322   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:30:10,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:30:10,326   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:30:10,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc
2025-08-31T09:30:10,330   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc
2025-08-31T09:30:10,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf
2025-08-31T09:30:10,334   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf
2025-08-31T09:30:10,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:30:10,337   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:30:10,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco
2025-08-31T09:30:10,341   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco
2025-08-31T09:30:10,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4
2025-08-31T09:30:10,345   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4
2025-08-31T09:30:10,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14
2025-08-31T09:30:10,348   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14
2025-08-31T09:30:10,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh
2025-08-31T09:30:10,352   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh
2025-08-31T09:30:10,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13
2025-08-31T09:30:10,356   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13
2025-08-31T09:30:10,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:30:10,360   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:30:10,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09
2025-08-31T09:30:10,363   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09
2025-08-31T09:30:10,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf
2025-08-31T09:30:10,367   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf
2025-08-31T09:30:10,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2
2025-08-31T09:30:10,371   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2
2025-08-31T09:30:10,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2
2025-08-31T09:30:10,375   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2
2025-08-31T09:30:10,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07
2025-08-31T09:30:10,379   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07
2025-08-31T09:30:10,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8
2025-08-31T09:30:10,383   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8
2025-08-31T09:30:10,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:30:10,387   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:30:10,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10
2025-08-31T09:30:10,391   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10
2025-08-31T09:30:10,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:30:10,394   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:30:10,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:30:10,398   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:30:10,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:30:10,402   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:30:10,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts
2025-08-31T09:30:10,406   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts
2025-08-31T09:30:10,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2
2025-08-31T09:30:10,410   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2
2025-08-31T09:30:10,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl
2025-08-31T09:30:10,414   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl
2025-08-31T09:30:10,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f
2025-08-31T09:30:10,418   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f
2025-08-31T09:30:10,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19
2025-08-31T09:30:10,421   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19
2025-08-31T09:30:10,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:30:10,425   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:30:10,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03
2025-08-31T09:30:10,429   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03
2025-08-31T09:30:10,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:30:10,433   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:30:10,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3
2025-08-31T09:30:10,437   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3
2025-08-31T09:30:10,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16
2025-08-31T09:30:10,441   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16
2025-08-31T09:30:10,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3
2025-08-31T09:30:10,445   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3
2025-08-31T09:30:10,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12
2025-08-31T09:30:10,448   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12
2025-08-31T09:30:10,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6
2025-08-31T09:30:10,452   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6
2025-08-31T09:30:10,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:30:10,455   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:30:10,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S
2025-08-31T09:30:10,459   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S
2025-08-31T09:30:10,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01
2025-08-31T09:30:10,463   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01
2025-08-31T09:30:10,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O
2025-08-31T09:30:10,467   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O
2025-08-31T09:30:10,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04
2025-08-31T09:30:10,471   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04
2025-08-31T09:30:10,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20
2025-08-31T09:30:10,475   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20
2025-08-31T09:30:10,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts
2025-08-31T09:30:10,480   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts
2025-08-31T09:30:10,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7
2025-08-31T09:30:10,484   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7
2025-08-31T09:30:10,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H
2025-08-31T09:30:10,487   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H
2025-08-31T09:30:10,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-
2025-08-31T09:30:10,491   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-
2025-08-31T09:30:10,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS
2025-08-31T09:30:10,495   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS
2025-08-31T09:30:10,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3
2025-08-31T09:30:10,499   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3
2025-08-31T09:30:10,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-
2025-08-31T09:30:10,503   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-
2025-08-31T09:30:10,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4
2025-08-31T09:30:10,507   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4
2025-08-31T09:30:10,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2
2025-08-31T09:30:10,511   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2
2025-08-31T09:30:10,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22
2025-08-31T09:30:10,515   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22
2025-08-31T09:30:10,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5
2025-08-31T09:30:10,519   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5
2025-08-31T09:30:10,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:30:10,523   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:30:10,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:30:10,527   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:30:10,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH
2025-08-31T09:30:10,530   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH
2025-08-31T09:30:10,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:30:10,534   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:30:10,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co
2025-08-31T09:30:10,538   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co
2025-08-31T09:30:10,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:30:10,541   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:30:10,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts
2025-08-31T09:30:10,545   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts
2025-08-31T09:30:10,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f
2025-08-31T09:30:10,549   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f
2025-08-31T09:30:10,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O
2025-08-31T09:30:10,553   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O
2025-08-31T09:30:10,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2
2025-08-31T09:30:10,557   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2
2025-08-31T09:30:10,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl
2025-08-31T09:30:10,561   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl
2025-08-31T09:30:10,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:30:10,565   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:30:10,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots
2025-08-31T09:30:10,569   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots
2025-08-31T09:30:10,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn
2025-08-31T09:30:10,572   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn
2025-08-31T09:30:10,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11
2025-08-31T09:30:10,576   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11
2025-08-31T09:30:10,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21
2025-08-31T09:30:10,580   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21
2025-08-31T09:30:10,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17
2025-08-31T09:30:10,584   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17
2025-08-31T09:30:10,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-
2025-08-31T09:30:10,587   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-
2025-08-31T09:30:10,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4
2025-08-31T09:30:10,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:30:10,594   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:30:10,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:30:10,598   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:30:10,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:30:10,602   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:30:10,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:30:10,605   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:30:10,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:30:10,610   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:30:10,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:30:10,613   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:30:10,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:30:10,617   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:30:10,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:30:10,621   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:30:10,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:30:10,625   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:30:10,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:30:10,629   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:30:10,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:30:10,633   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:30:10,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:30:10,637   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:30:10,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:30:10,641   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:30:10,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:30:10,645   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:30:10,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:30:10,649   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:30:10,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:30:10,653   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:30:10,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:30:10,657   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:30:10,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:30:10,661   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:30:10,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:30:10,665   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:30:10,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:30:10,670   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:30:10,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:30:10,674   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:30:10,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:30:10,678   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:30:10,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:30:10,682   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:30:10,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:30:10,686   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:30:10,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:30:10,690   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:30:10,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:30:10,695   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:30:10,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:30:10,699   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:30:10,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:30:10,703   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:30:10,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:30:10,708   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:30:10,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:30:10,712   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:30:10,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:30:10,716   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:30:10,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:30:10,720   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:30:10,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:30:10,724   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:30:10,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:30:10,729   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:30:10,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:30:10,732   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:30:10,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:30:10,736   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:30:10,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:30:10,740   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:30:10,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:30:10,744   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:30:10,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:30:10,748   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:30:10,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:30:10,752   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:30:10,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:30:10,756   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:30:10,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:30:10,761   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:30:10,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:30:10,765   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:30:10,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:30:10,769   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:30:10,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:30:10,773   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:30:10,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:30:10,778   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:30:10,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:30:10,782   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:30:10,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:30:10,786   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:30:10,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:30:10,790   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:30:10,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:30:10,794   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:30:10,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:30:10,798   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:30:10,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:30:10,802   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:30:10,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:30:10,806   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:30:10,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:30:10,810   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:30:10,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:30:10,815   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:30:10,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:30:10,819   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:30:10,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:30:10,823   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:30:10,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:30:10,827   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:30:10,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:30:10,832   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:30:10,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:30:10,836   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:30:10,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:30:10,840   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:30:10,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:30:10,844   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:30:10,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:30:10,849   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:30:10,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:30:10,853   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:30:10,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:30:10,857   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:30:10,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:30:10,861   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:30:10,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:30:10,865   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:30:10,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:30:10,869   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:30:10,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:30:10,873   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:30:10,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:30:10,877   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:30:10,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:30:10,882   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:30:10,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:30:10,886   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:30:10,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:30:10,890   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:30:10,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:30:10,894   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:30:10,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:30:10,898   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:30:10,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:30:10,903   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:30:10,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:30:10,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:30:10,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:30:10,911   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:30:10,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:30:10,916   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:30:10,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:30:10,923   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:30:10,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:30:10,973   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:30:10,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:30:10,979   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:30:10,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:30:10,984   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:30:10,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:30:10,988   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:30:10,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:30:10,993   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:30:10,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:30:10,997   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:30:11,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:30:11,001   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:30:11,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:30:11,005   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:30:11,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:30:11,009   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:30:11,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:30:11,012   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:30:11,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:30:11,016   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:30:11,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:30:11,020   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:30:11,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:30:11,024   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:30:11,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:30:11,029   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:30:11,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:30:11,033   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:30:11,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:30:11,037   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:30:11,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:30:11,041   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:30:11,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:30:11,045   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:30:11,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:30:11,049   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:30:11,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:30:11,053   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:30:11,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20
2025-08-31T09:30:11,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49
2025-08-31T09:30:11,059   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49
2025-08-31T09:30:11,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40
2025-08-31T09:30:11,062   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40
2025-08-31T09:30:11,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51
2025-08-31T09:30:11,066   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51
2025-08-31T09:30:11,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40
2025-08-31T09:30:11,070   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40
2025-08-31T09:30:11,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25
2025-08-31T09:30:11,074   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25
2025-08-31T09:30:11,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45
2025-08-31T09:30:11,078   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45
2025-08-31T09:30:11,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44
2025-08-31T09:30:11,082   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44
2025-08-31T09:30:11,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57
2025-08-31T09:30:11,086   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57
2025-08-31T09:30:11,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48
2025-08-31T09:30:11,089   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48
2025-08-31T09:30:11,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22
2025-08-31T09:30:11,093   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22
2025-08-31T09:30:11,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47
2025-08-31T09:30:11,097   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47
2025-08-31T09:30:11,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26
2025-08-31T09:30:11,101   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26
2025-08-31T09:30:11,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43
2025-08-31T09:30:11,105   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43
2025-08-31T09:30:11,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52
2025-08-31T09:30:11,108   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52
2025-08-31T09:30:11,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25
2025-08-31T09:30:11,112   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25
2025-08-31T09:30:11,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20
2025-08-31T09:30:11,115   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20
2025-08-31T09:30:11,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29
2025-08-31T09:30:11,119   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29
2025-08-31T09:30:11,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21
2025-08-31T09:30:11,123   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21
2025-08-31T09:30:11,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47
2025-08-31T09:30:11,127   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47
2025-08-31T09:30:11,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56
2025-08-31T09:30:11,131   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56
2025-08-31T09:30:11,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51
2025-08-31T09:30:11,134   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51
2025-08-31T09:30:11,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49
2025-08-31T09:30:11,138   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49
2025-08-31T09:30:11,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20
2025-08-31T09:30:11,142   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20
2025-08-31T09:30:11,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44
2025-08-31T09:30:11,146   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44
2025-08-31T09:30:11,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52
2025-08-31T09:30:11,150   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52
2025-08-31T09:30:11,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26
2025-08-31T09:30:11,153   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26
2025-08-31T09:30:11,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46
2025-08-31T09:30:11,157   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46
2025-08-31T09:30:11,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48
2025-08-31T09:30:11,161   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48
2025-08-31T09:30:11,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43
2025-08-31T09:30:11,164   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43
2025-08-31T09:30:11,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46
2025-08-31T09:30:11,168   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46
2025-08-31T09:30:11,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56
2025-08-31T09:30:11,172   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56
2025-08-31T09:30:11,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60
2025-08-31T09:30:11,176   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60
2025-08-31T09:30:11,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28
2025-08-31T09:30:11,180   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28
2025-08-31T09:30:11,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60
2025-08-31T09:30:11,184   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60
2025-08-31T09:30:11,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45
2025-08-31T09:30:11,188   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45
2025-08-31T09:30:11,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22
2025-08-31T09:30:11,192   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22
2025-08-31T09:30:11,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA
2025-08-31T09:30:11,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o
2025-08-31T09:30:11,199   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o
2025-08-31T09:30:11,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12
2025-08-31T09:30:11,203   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12
2025-08-31T09:30:11,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15
2025-08-31T09:30:11,206   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15
2025-08-31T09:30:11,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n
2025-08-31T09:30:11,211   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n
2025-08-31T09:30:11,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f
2025-08-31T09:30:11,214   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f
2025-08-31T09:30:11,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14
2025-08-31T09:30:11,218   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14
2025-08-31T09:30:11,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-
2025-08-31T09:30:11,221   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-
2025-08-31T09:30:11,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl
2025-08-31T09:30:11,225   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl
2025-08-31T09:30:11,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p
2025-08-31T09:30:11,229   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p
2025-08-31T09:30:11,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n
2025-08-31T09:30:11,233   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n
2025-08-31T09:30:11,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20
2025-08-31T09:30:11,236   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20
2025-08-31T09:30:11,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n
2025-08-31T09:30:11,240   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n
2025-08-31T09:30:11,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n
2025-08-31T09:30:11,244   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n
2025-08-31T09:30:11,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c
2025-08-31T09:30:11,247   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c
2025-08-31T09:30:11,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19
2025-08-31T09:30:11,251   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19
2025-08-31T09:30:11,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10
2025-08-31T09:30:11,255   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10
2025-08-31T09:30:11,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21
2025-08-31T09:30:11,259   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21
2025-08-31T09:30:11,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13
2025-08-31T09:30:11,263   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13
2025-08-31T09:30:11,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22
2025-08-31T09:30:11,267   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22
2025-08-31T09:30:11,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11
2025-08-31T09:30:11,271   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11
2025-08-31T09:30:11,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n
2025-08-31T09:30:11,275   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n
2025-08-31T09:30:11,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8
2025-08-31T09:30:11,278   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8
2025-08-31T09:30:11,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si
2025-08-31T09:30:11,283   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si
2025-08-31T09:30:11,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-
2025-08-31T09:30:11,286   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-
2025-08-31T09:30:11,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9
2025-08-31T09:30:11,290   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9
2025-08-31T09:30:11,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n
2025-08-31T09:30:11,294   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n
2025-08-31T09:30:11,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-
2025-08-31T09:30:11,298   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-
2025-08-31T09:30:11,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16
2025-08-31T09:30:11,302   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16
2025-08-31T09:30:11,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n
2025-08-31T09:30:11,306   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n
2025-08-31T09:30:11,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n
2025-08-31T09:30:11,310   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n
2025-08-31T09:30:11,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-
2025-08-31T09:30:11,314   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-
2025-08-31T09:30:11,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-
2025-08-31T09:30:11,318   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-
2025-08-31T09:30:11,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n
2025-08-31T09:30:11,322   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n
2025-08-31T09:30:11,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17
2025-08-31T09:30:11,326   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17
2025-08-31T09:30:11,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n
2025-08-31T09:30:11,330   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n
2025-08-31T09:30:11,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n
2025-08-31T09:30:11,333   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n
2025-08-31T09:30:11,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-
2025-08-31T09:30:11,337   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-
2025-08-31T09:30:11,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25
2025-08-31T09:30:11,342   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25
2025-08-31T09:30:11,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n
2025-08-31T09:30:11,346   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n
2025-08-31T09:30:11,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n
2025-08-31T09:30:11,350   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n
2025-08-31T09:30:11,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n
2025-08-31T09:30:11,354   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n
2025-08-31T09:30:11,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24
2025-08-31T09:30:11,357   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24
2025-08-31T09:30:11,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n
2025-08-31T09:30:11,361   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n
2025-08-31T09:30:11,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s
2025-08-31T09:30:11,365   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s
2025-08-31T09:30:11,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n
2025-08-31T09:30:11,369   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n
2025-08-31T09:30:11,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n
2025-08-31T09:30:11,373   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n
2025-08-31T09:30:11,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18
2025-08-31T09:30:11,378   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18
2025-08-31T09:30:11,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:30:11,381   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:30:11,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n
2025-08-31T09:30:11,385   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n
2025-08-31T09:30:11,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23
2025-08-31T09:30:11,389   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23
2025-08-31T09:30:11,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59
2025-08-31T09:30:11,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:30:11,396   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:30:11,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:30:11,401   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
2025-08-31T09:30:11,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:30:11,404   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
2025-08-31T09:30:11,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:30:11,408   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
2025-08-31T09:30:11,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:30:11,412   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:30:11,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:30:11,416   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:30:11,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:30:11,420   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
2025-08-31T09:30:11,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:30:11,424   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:30:11,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:30:11,428   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
2025-08-31T09:30:11,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:30:11,432   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:30:11,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:30:11,436   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
2025-08-31T09:30:11,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:30:11,440   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:30:11,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:30:11,444   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:30:11,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:30:11,447   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
2025-08-31T09:30:11,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:30:11,451   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:30:11,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:30:11,455   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:30:11,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:30:11,459   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:30:11,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:30:11,463   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:30:11,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS
2025-08-31T09:30:11,467   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS
2025-08-31T09:30:11,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:30:11,471   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:30:11,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:30:11,475   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
2025-08-31T09:30:11,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:30:11,479   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:30:11,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:30:11,482   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
2025-08-31T09:30:11,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:30:11,487   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
2025-08-31T09:30:11,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:30:11,491   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
2025-08-31T09:30:11,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:30:11,495   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
2025-08-31T09:30:11,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:30:11,499   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
2025-08-31T09:30:11,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl
2025-08-31T09:30:11,502   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl
2025-08-31T09:30:11,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:30:11,506   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:30:11,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:30:11,510   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:30:11,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:30:11,514   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
2025-08-31T09:30:11,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:30:11,518   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:30:11,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2
2025-08-31T09:30:11,521   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2
2025-08-31T09:30:11,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:30:11,525   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
2025-08-31T09:30:11,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:30:11,529   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
2025-08-31T09:30:11,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:30:11,533   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:30:11,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:30:11,537   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:30:11,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:30:11,541   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:30:11,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:30:11,545   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
2025-08-31T09:30:11,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:30:11,549   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
2025-08-31T09:30:11,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:30:11,553   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:30:11,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI
2025-08-31T09:30:11,556   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI
2025-08-31T09:30:11,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:30:11,560   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
2025-08-31T09:30:11,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:30:11,564   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:30:11,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:30:11,568   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:30:11,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:30:11,572   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:30:11,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:30:11,575   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:30:11,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:30:11,579   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:30:11,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:30:11,583   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
2025-08-31T09:30:11,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:30:11,587   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:30:11,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:30:11,591   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
2025-08-31T09:30:11,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr
2025-08-31T09:30:11,595   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr
2025-08-31T09:30:11,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:30:11,598   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:30:11,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:30:11,602   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
2025-08-31T09:30:11,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:30:11,605   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:30:11,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:30:11,609   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
2025-08-31T09:30:11,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:30:11,613   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:30:11,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:30:11,617   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:30:11,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:30:11,621   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:30:11,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:30:11,625   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
2025-08-31T09:30:11,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr
2025-08-31T09:30:11,629   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr
2025-08-31T09:30:11,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI
2025-08-31T09:30:11,633   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI
2025-08-31T09:30:11,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr
2025-08-31T09:30:11,637   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr
2025-08-31T09:30:11,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:30:11,641   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
2025-08-31T09:30:11,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3
2025-08-31T09:30:11,645   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3
2025-08-31T09:30:11,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:30:11,649   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
2025-08-31T09:30:11,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:30:11,653   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
2025-08-31T09:30:11,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI
2025-08-31T09:30:11,657   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI
2025-08-31T09:30:11,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH
2025-08-31T09:30:11,662   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH
2025-08-31T09:30:11,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:30:11,666   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
2025-08-31T09:30:11,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:30:11,670   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:30:11,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:30:11,674   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
2025-08-31T09:30:11,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe
2025-08-31T09:30:11,678   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe
2025-08-31T09:30:11,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:30:11,682   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:30:11,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:30:11,686   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
2025-08-31T09:30:11,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:30:11,690   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:30:11,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:30:11,694   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:30:11,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:30:11,697   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:30:11,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:30:11,701   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
2025-08-31T09:30:11,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:30:11,705   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
2025-08-31T09:30:11,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:30:11,709   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:30:11,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH
2025-08-31T09:30:11,712   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH
2025-08-31T09:30:11,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:30:11,716   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
2025-08-31T09:30:11,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:30:11,720   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:30:11,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:30:11,724   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:30:11,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3
2025-08-31T09:30:11,727   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3
2025-08-31T09:30:11,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:30:11,731   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
2025-08-31T09:30:11,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr
2025-08-31T09:30:11,735   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr
2025-08-31T09:30:11,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:30:11,739   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:30:11,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:30:11,743   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
2025-08-31T09:30:11,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:30:11,747   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:30:11,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:30:11,751   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
2025-08-31T09:30:11,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:30:11,755   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:30:11,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:30:11,759   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
2025-08-31T09:30:11,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:30:11,763   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
2025-08-31T09:30:11,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:30:11,767   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
2025-08-31T09:30:11,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI
2025-08-31T09:30:11,770   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI
2025-08-31T09:30:11,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS
2025-08-31T09:30:11,774   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS
2025-08-31T09:30:11,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH
2025-08-31T09:30:11,777   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH
2025-08-31T09:30:11,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:30:11,781   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:30:11,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:30:11,785   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:30:11,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:30:11,789   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
2025-08-31T09:30:11,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:30:11,792   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
2025-08-31T09:30:11,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:30:11,796   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
2025-08-31T09:30:11,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:30:11,801   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:30:11,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18
2025-08-31T09:30:11,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7
2025-08-31T09:30:11,807   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7
2025-08-31T09:30:11,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:30:11,811   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:30:11,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9
2025-08-31T09:30:11,814   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9
2025-08-31T09:30:11,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2
2025-08-31T09:30:11,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2
2025-08-31T09:30:11,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9
2025-08-31T09:30:11,822   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9
2025-08-31T09:30:11,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4
2025-08-31T09:30:11,826   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4
2025-08-31T09:30:11,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2
2025-08-31T09:30:11,830   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2
2025-08-31T09:30:11,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:30:11,834   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:30:11,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5
2025-08-31T09:30:11,838   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5
2025-08-31T09:30:11,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4
2025-08-31T09:30:11,841   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4
2025-08-31T09:30:11,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:30:11,845   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:30:11,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6
2025-08-31T09:30:11,849   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6
2025-08-31T09:30:11,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:30:11,853   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:30:11,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:30:11,857   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:30:11,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7
2025-08-31T09:30:11,862   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7
2025-08-31T09:30:11,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o
2025-08-31T09:30:11,867   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o
2025-08-31T09:30:11,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6
2025-08-31T09:30:11,871   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6
2025-08-31T09:30:11,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5
2025-08-31T09:30:11,875   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5
2025-08-31T09:30:11,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1
2025-08-31T09:30:11,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1
2025-08-31T09:30:11,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:30:11,883   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:30:11,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8
2025-08-31T09:30:11,887   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8
2025-08-31T09:30:11,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:30:11,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:30:11,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1
2025-08-31T09:30:11,895   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1
2025-08-31T09:30:11,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8
2025-08-31T09:30:11,899   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8
2025-08-31T09:30:11,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:30:11,903   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:30:11,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3
2025-08-31T09:30:11,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3
2025-08-31T09:30:11,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3
2025-08-31T09:30:11,912   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3
2025-08-31T09:30:11,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:30:11,916   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:30:11,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34
2025-08-31T09:30:11,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29
2025-08-31T09:30:11,923   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29
2025-08-31T09:30:11,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28
2025-08-31T09:30:11,927   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28
2025-08-31T09:30:11,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20
2025-08-31T09:30:11,931   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20
2025-08-31T09:30:11,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9
2025-08-31T09:30:11,934   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9
2025-08-31T09:30:11,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33
2025-08-31T09:30:11,938   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33
2025-08-31T09:30:11,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24
2025-08-31T09:30:11,942   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24
2025-08-31T09:30:11,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11
2025-08-31T09:30:11,946   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11
2025-08-31T09:30:11,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15
2025-08-31T09:30:11,950   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15
2025-08-31T09:30:11,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16
2025-08-31T09:30:11,954   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16
2025-08-31T09:30:11,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19
2025-08-31T09:30:11,958   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19
2025-08-31T09:30:11,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32
2025-08-31T09:30:11,962   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32
2025-08-31T09:30:11,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8
2025-08-31T09:30:11,965   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8
2025-08-31T09:30:11,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34
2025-08-31T09:30:11,969   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34
2025-08-31T09:30:11,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7
2025-08-31T09:30:11,973   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7
2025-08-31T09:30:11,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24
2025-08-31T09:30:11,977   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24
2025-08-31T09:30:11,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17
2025-08-31T09:30:11,981   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17
2025-08-31T09:30:11,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12
2025-08-31T09:30:11,985   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12
2025-08-31T09:30:11,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21
2025-08-31T09:30:11,988   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21
2025-08-31T09:30:11,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25
2025-08-31T09:30:11,992   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25
2025-08-31T09:30:11,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1
2025-08-31T09:30:11,996   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1
2025-08-31T09:30:11,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23
2025-08-31T09:30:12,000   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23
2025-08-31T09:30:12,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13
2025-08-31T09:30:12,219   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13
2025-08-31T09:30:12,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4
2025-08-31T09:30:12,225   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4
2025-08-31T09:30:12,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13
2025-08-31T09:30:12,231   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13
2025-08-31T09:30:12,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33
2025-08-31T09:30:12,237   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33
2025-08-31T09:30:12,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15
2025-08-31T09:30:12,241   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15
2025-08-31T09:30:12,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31
2025-08-31T09:30:12,245   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31
2025-08-31T09:30:12,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3
2025-08-31T09:30:12,249   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3
2025-08-31T09:30:12,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31
2025-08-31T09:30:12,253   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31
2025-08-31T09:30:12,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22
2025-08-31T09:30:12,258   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22
2025-08-31T09:30:12,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30
2025-08-31T09:30:12,262   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30
2025-08-31T09:30:12,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6
2025-08-31T09:30:12,266   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6
2025-08-31T09:30:12,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23
2025-08-31T09:30:12,270   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23
2025-08-31T09:30:12,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10
2025-08-31T09:30:12,273   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10
2025-08-31T09:30:12,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4
2025-08-31T09:30:12,277   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4
2025-08-31T09:30:12,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8
2025-08-31T09:30:12,282   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8
2025-08-31T09:30:12,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14
2025-08-31T09:30:12,286   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14
2025-08-31T09:30:12,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16
2025-08-31T09:30:12,290   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16
2025-08-31T09:30:12,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28
2025-08-31T09:30:12,295   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28
2025-08-31T09:30:12,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18
2025-08-31T09:30:12,298   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18
2025-08-31T09:30:12,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2
2025-08-31T09:30:12,302   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2
2025-08-31T09:30:12,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32
2025-08-31T09:30:12,306   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32
2025-08-31T09:30:12,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20
2025-08-31T09:30:12,310   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20
2025-08-31T09:30:12,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3
2025-08-31T09:30:12,314   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3
2025-08-31T09:30:12,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27
2025-08-31T09:30:12,318   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27
2025-08-31T09:30:12,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11
2025-08-31T09:30:12,322   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11
2025-08-31T09:30:12,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14
2025-08-31T09:30:12,326   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14
2025-08-31T09:30:12,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26
2025-08-31T09:30:12,330   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26
2025-08-31T09:30:12,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26
2025-08-31T09:30:12,333   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26
2025-08-31T09:30:12,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21
2025-08-31T09:30:12,337   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21
2025-08-31T09:30:12,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18
2025-08-31T09:30:12,341   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18
2025-08-31T09:30:12,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5
2025-08-31T09:30:12,345   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5
2025-08-31T09:30:12,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9
2025-08-31T09:30:12,349   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9
2025-08-31T09:30:12,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1
2025-08-31T09:30:12,353   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1
2025-08-31T09:30:12,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7
2025-08-31T09:30:12,358   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7
2025-08-31T09:30:12,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29
2025-08-31T09:30:12,361   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29
2025-08-31T09:30:12,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17
2025-08-31T09:30:12,365   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17
2025-08-31T09:30:12,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12
2025-08-31T09:30:12,369   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12
2025-08-31T09:30:12,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34
2025-08-31T09:30:12,373   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34
2025-08-31T09:30:12,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10
2025-08-31T09:30:12,377   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10
2025-08-31T09:30:12,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27
2025-08-31T09:30:12,381   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27
2025-08-31T09:30:12,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25
2025-08-31T09:30:12,385   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25
2025-08-31T09:30:12,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30
2025-08-31T09:30:12,389   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30
2025-08-31T09:30:12,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13
2025-08-31T09:30:12,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2
2025-08-31T09:30:12,394   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2
2025-08-31T09:30:12,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:30:12,398   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
2025-08-31T09:30:12,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2
2025-08-31T09:30:12,402   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2
2025-08-31T09:30:12,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip
2025-08-31T09:30:12,406   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip
2025-08-31T09:30:12,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8
2025-08-31T09:30:12,410   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8
2025-08-31T09:30:12,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb
2025-08-31T09:30:12,413   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb
2025-08-31T09:30:12,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36
2025-08-31T09:30:12,417   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36
2025-08-31T09:30:12,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen
2025-08-31T09:30:12,421   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen
2025-08-31T09:30:12,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35
2025-08-31T09:30:12,425   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35
2025-08-31T09:30:12,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene
2025-08-31T09:30:12,429   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene
2025-08-31T09:30:12,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl
2025-08-31T09:30:12,432   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl
2025-08-31T09:30:12,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:30:12,436   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
2025-08-31T09:30:12,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3
2025-08-31T09:30:12,439   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3
2025-08-31T09:30:12,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be
2025-08-31T09:30:12,443   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be
2025-08-31T09:30:12,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:30:12,447   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
2025-08-31T09:30:12,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen
2025-08-31T09:30:12,451   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen
2025-08-31T09:30:12,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36
2025-08-31T09:30:12,455   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36
2025-08-31T09:30:12,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:30:12,459   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
2025-08-31T09:30:12,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2
2025-08-31T09:30:12,463   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2
2025-08-31T09:30:12,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4
2025-08-31T09:30:12,466   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4
2025-08-31T09:30:12,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2
2025-08-31T09:30:12,470   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2
2025-08-31T09:30:12,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1
2025-08-31T09:30:12,474   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1
2025-08-31T09:30:12,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne
2025-08-31T09:30:12,478   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne
2025-08-31T09:30:12,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4
2025-08-31T09:30:12,482   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4
2025-08-31T09:30:12,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6
2025-08-31T09:30:12,486   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6
2025-08-31T09:30:12,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL
2025-08-31T09:30:12,489   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL
2025-08-31T09:30:12,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage
2025-08-31T09:30:12,493   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage
2025-08-31T09:30:12,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2
2025-08-31T09:30:12,497   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2
2025-08-31T09:30:12,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35
2025-08-31T09:30:12,500   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35
2025-08-31T09:30:12,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6
2025-08-31T09:30:12,504   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6
2025-08-31T09:30:12,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26
2025-08-31T09:30:12,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2
2025-08-31T09:30:12,511   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2
2025-08-31T09:30:12,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p
2025-08-31T09:30:12,514   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p
2025-08-31T09:30:12,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p
2025-08-31T09:30:12,518   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p
2025-08-31T09:30:12,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp
2025-08-31T09:30:12,522   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp
2025-08-31T09:30:12,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp
2025-08-31T09:30:12,526   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp
2025-08-31T09:30:12,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6
2025-08-31T09:30:12,530   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6
2025-08-31T09:30:12,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp
2025-08-31T09:30:12,534   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp
2025-08-31T09:30:12,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp
2025-08-31T09:30:12,537   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp
2025-08-31T09:30:12,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s
2025-08-31T09:30:12,541   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s
2025-08-31T09:30:12,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4
2025-08-31T09:30:12,545   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4
2025-08-31T09:30:12,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass
2025-08-31T09:30:12,549   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass
2025-08-31T09:30:12,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6
2025-08-31T09:30:12,553   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6
2025-08-31T09:30:12,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap
2025-08-31T09:30:12,556   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap
2025-08-31T09:30:12,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G
2025-08-31T09:30:12,560   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G
2025-08-31T09:30:12,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly
2025-08-31T09:30:12,564   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly
2025-08-31T09:30:12,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp
2025-08-31T09:30:12,568   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp
2025-08-31T09:30:12,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp
2025-08-31T09:30:12,572   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp
2025-08-31T09:30:12,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp
2025-08-31T09:30:12,576   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp
2025-08-31T09:30:12,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op
2025-08-31T09:30:12,580   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op
2025-08-31T09:30:12,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys
2025-08-31T09:30:12,583   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys
2025-08-31T09:30:12,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp
2025-08-31T09:30:12,588   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp
2025-08-31T09:30:12,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8
2025-08-31T09:30:12,591   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8
2025-08-31T09:30:12,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p
2025-08-31T09:30:12,595   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p
2025-08-31T09:30:12,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol
2025-08-31T09:30:12,599   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol
2025-08-31T09:30:12,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp
2025-08-31T09:30:12,603   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp
2025-08-31T09:30:12,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T
2025-08-31T09:30:12,607   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T
2025-08-31T09:30:12,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p
2025-08-31T09:30:12,610   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p
2025-08-31T09:30:12,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:30:12,614   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:30:12,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p
2025-08-31T09:30:12,618   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p
2025-08-31T09:30:12,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p
2025-08-31T09:30:12,622   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p
2025-08-31T09:30:12,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p
2025-08-31T09:30:12,626   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p
2025-08-31T09:30:12,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o
2025-08-31T09:30:12,630   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o
2025-08-31T09:30:12,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4
2025-08-31T09:30:12,634   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4
2025-08-31T09:30:12,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh
2025-08-31T09:30:12,638   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh
2025-08-31T09:30:12,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p
2025-08-31T09:30:12,642   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p
2025-08-31T09:30:12,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s
2025-08-31T09:30:12,645   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s
2025-08-31T09:30:12,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:30:12,650   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:30:12,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3
2025-08-31T09:30:12,653   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3
2025-08-31T09:30:12,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp
2025-08-31T09:30:12,657   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp
2025-08-31T09:30:12,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A
2025-08-31T09:30:12,661   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A
2025-08-31T09:30:12,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C
2025-08-31T09:30:12,665   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C
2025-08-31T09:30:12,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6
2025-08-31T09:30:12,668   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6
2025-08-31T09:30:12,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2
2025-08-31T09:30:12,672   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2
2025-08-31T09:30:12,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp
2025-08-31T09:30:12,676   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp
2025-08-31T09:30:12,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2
2025-08-31T09:30:12,680   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2
2025-08-31T09:30:12,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p
2025-08-31T09:30:12,683   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p
2025-08-31T09:30:12,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p
2025-08-31T09:30:12,687   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p
2025-08-31T09:30:12,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl
2025-08-31T09:30:12,691   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl
2025-08-31T09:30:12,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p
2025-08-31T09:30:12,695   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p
2025-08-31T09:30:12,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol
2025-08-31T09:30:12,700   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol
2025-08-31T09:30:12,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp
2025-08-31T09:30:12,703   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp
2025-08-31T09:30:12,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3
2025-08-31T09:30:12,707   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3
2025-08-31T09:30:12,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27
2025-08-31T09:30:12,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:30:12,713   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:30:12,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:30:12,717   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:30:12,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:30:12,721   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:30:12,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:30:12,724   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:30:12,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:30:12,728   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:30:12,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:30:12,732   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:30:12,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:30:12,736   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:30:12,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2
2025-08-31T09:30:12,740   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2
2025-08-31T09:30:12,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:30:12,744   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:30:12,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:30:12,748   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:30:12,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:30:12,752   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:30:12,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:30:12,756   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:30:12,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:30:12,760   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:30:12,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:30:12,764   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:30:12,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:30:12,768   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:30:12,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:30:12,772   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:30:12,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:30:12,775   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:30:12,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:30:12,780   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:30:12,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:30:12,783   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:30:12,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:30:12,787   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:30:12,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:30:12,791   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:30:12,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:30:12,795   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:30:12,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:30:12,799   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:30:12,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:30:12,803   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:30:12,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:30:12,807   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:30:12,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:30:12,811   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:30:12,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:30:12,815   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:30:12,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:30:12,818   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:30:12,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:30:12,822   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:30:12,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:30:12,826   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:30:12,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:30:12,830   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:30:12,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:30:12,833   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:30:12,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:30:12,837   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:30:12,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2
2025-08-31T09:30:12,841   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2
2025-08-31T09:30:12,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:30:12,845   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:30:12,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:30:12,849   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:30:12,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:30:12,853   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:30:12,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:30:12,857   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:30:12,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:30:12,861   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:30:12,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:30:12,864   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:30:12,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51
2025-08-31T09:30:12,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:30:12,871   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
2025-08-31T09:30:12,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:30:12,875   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:30:12,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane
2025-08-31T09:30:12,879   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane
2025-08-31T09:30:12,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO
2025-08-31T09:30:12,883   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO
2025-08-31T09:30:12,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO
2025-08-31T09:30:12,887   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO
2025-08-31T09:30:12,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:30:12,891   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:30:12,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne
2025-08-31T09:30:12,895   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne
2025-08-31T09:30:12,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran
2025-08-31T09:30:12,899   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran
2025-08-31T09:30:12,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:30:12,903   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
2025-08-31T09:30:12,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:30:12,907   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:30:12,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2
2025-08-31T09:30:12,912   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2
2025-08-31T09:30:12,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2
2025-08-31T09:30:12,916   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2
2025-08-31T09:30:12,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene
2025-08-31T09:30:12,920   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene
2025-08-31T09:30:12,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:30:12,924   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:30:12,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:30:12,928   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:30:12,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:30:12,932   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:30:12,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:30:12,935   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:30:12,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:30:12,939   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:30:12,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol
2025-08-31T09:30:12,943   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol
2025-08-31T09:30:12,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:30:12,947   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
2025-08-31T09:30:12,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:30:12,951   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:30:12,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:30:12,955   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:30:12,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:30:12,959   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:30:12,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene
2025-08-31T09:30:12,963   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene
2025-08-31T09:30:12,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:30:12,967   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
2025-08-31T09:30:12,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne
2025-08-31T09:30:12,971   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne
2025-08-31T09:30:12,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:30:12,975   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
2025-08-31T09:30:12,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:30:12,979   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
2025-08-31T09:30:12,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:30:12,983   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:30:12,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene
2025-08-31T09:30:12,987   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene
2025-08-31T09:30:12,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:30:12,991   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:30:12,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:30:12,995   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:30:12,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:30:12,998   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:30:13,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:30:13,002   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:30:13,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:30:13,006   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
2025-08-31T09:30:13,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:30:13,010   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
2025-08-31T09:30:13,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:30:13,014   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:30:13,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:30:13,018   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
2025-08-31T09:30:13,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2
2025-08-31T09:30:13,022   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2
2025-08-31T09:30:13,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine
2025-08-31T09:30:13,025   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine
2025-08-31T09:30:13,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:30:13,029   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:30:13,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene
2025-08-31T09:30:13,033   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene
2025-08-31T09:30:13,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione
2025-08-31T09:30:13,036   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione
2025-08-31T09:30:13,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:30:13,040   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:30:13,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:30:13,044   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:30:13,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:30:13,048   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:30:13,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2
2025-08-31T09:30:13,052   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2
2025-08-31T09:30:13,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol
2025-08-31T09:30:13,056   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol
2025-08-31T09:30:13,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:30:13,060   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:30:13,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:30:13,064   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:30:13,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:30:13,068   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:30:13,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol
2025-08-31T09:30:13,071   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol
2025-08-31T09:30:13,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:30:13,075   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
2025-08-31T09:30:13,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:30:13,079   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:30:13,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne
2025-08-31T09:30:13,083   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne
2025-08-31T09:30:13,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH
2025-08-31T09:30:13,087   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH
2025-08-31T09:30:13,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane
2025-08-31T09:30:13,090   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane
2025-08-31T09:30:13,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol
2025-08-31T09:30:13,094   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol
2025-08-31T09:30:13,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:30:13,098   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:30:13,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:30:13,101   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
2025-08-31T09:30:13,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3
2025-08-31T09:30:13,105   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3
2025-08-31T09:30:13,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2
2025-08-31T09:30:13,109   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2
2025-08-31T09:30:13,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane
2025-08-31T09:30:13,113   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane
2025-08-31T09:30:13,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine
2025-08-31T09:30:13,117   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine
2025-08-31T09:30:13,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S
2025-08-31T09:30:13,121   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S
2025-08-31T09:30:13,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene
2025-08-31T09:30:13,125   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene
2025-08-31T09:30:13,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole
2025-08-31T09:30:13,129   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole
2025-08-31T09:30:13,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene
2025-08-31T09:30:13,133   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene
2025-08-31T09:30:13,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:30:13,137   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:30:13,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:30:13,141   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:30:13,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN
2025-08-31T09:30:13,145   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN
2025-08-31T09:30:13,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne
2025-08-31T09:30:13,150   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne
2025-08-31T09:30:13,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane
2025-08-31T09:30:13,154   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane
2025-08-31T09:30:13,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:30:13,158   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:30:13,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O
2025-08-31T09:30:13,162   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O
2025-08-31T09:30:13,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:30:13,166   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:30:13,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene
2025-08-31T09:30:13,170   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene
2025-08-31T09:30:13,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN
2025-08-31T09:30:13,173   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN
2025-08-31T09:30:13,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene
2025-08-31T09:30:13,177   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene
2025-08-31T09:30:13,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl
2025-08-31T09:30:13,182   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl
2025-08-31T09:30:13,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:30:13,185   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:30:13,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:30:13,189   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:30:13,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:30:13,193   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:30:13,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:30:13,197   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:30:13,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O
2025-08-31T09:30:13,201   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O
2025-08-31T09:30:13,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:30:13,204   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:30:13,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran
2025-08-31T09:30:13,208   copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran
2025-08-31T09:30:13,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16
2025-08-31T09:30:13,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES
2025-08-31T09:30:13,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18
2025-08-31T09:30:13,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne
2025-08-31T09:30:13,220   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
2025-08-31T09:30:13,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6
2025-08-31T09:30:13,223   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
2025-08-31T09:30:13,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2
2025-08-31T09:30:13,227   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
2025-08-31T09:30:13,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe
2025-08-31T09:30:13,231   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
2025-08-31T09:30:13,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:30:13,235   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
2025-08-31T09:30:13,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe
2025-08-31T09:30:13,239   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
2025-08-31T09:30:13,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr
2025-08-31T09:30:13,243   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
2025-08-31T09:30:13,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:30:13,246   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
2025-08-31T09:30:13,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf
2025-08-31T09:30:13,250   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
2025-08-31T09:30:13,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3
2025-08-31T09:30:13,254   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
2025-08-31T09:30:13,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4
2025-08-31T09:30:13,258   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
2025-08-31T09:30:13,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz
2025-08-31T09:30:13,262   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
2025-08-31T09:30:13,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4
2025-08-31T09:30:13,266   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
2025-08-31T09:30:13,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr
2025-08-31T09:30:13,270   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
2025-08-31T09:30:13,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3
2025-08-31T09:30:13,274   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
2025-08-31T09:30:13,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3
2025-08-31T09:30:13,277   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
2025-08-31T09:30:13,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2
2025-08-31T09:30:13,281   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
2025-08-31T09:30:13,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2
2025-08-31T09:30:13,285   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
2025-08-31T09:30:13,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:30:13,289   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
2025-08-31T09:30:13,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6
2025-08-31T09:30:13,292   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
2025-08-31T09:30:13,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr
2025-08-31T09:30:13,296   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
2025-08-31T09:30:13,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr
2025-08-31T09:30:13,300   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
2025-08-31T09:30:13,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:30:13,304   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
2025-08-31T09:30:13,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar
2025-08-31T09:30:13,307   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
2025-08-31T09:30:13,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2
2025-08-31T09:30:13,311   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
2025-08-31T09:30:13,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC
2025-08-31T09:30:13,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117
2025-08-31T09:30:13,317   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
2025-08-31T09:30:13,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23
2025-08-31T09:30:13,321   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
2025-08-31T09:30:13,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121
2025-08-31T09:30:13,325   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
2025-08-31T09:30:13,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11
2025-08-31T09:30:13,329   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
2025-08-31T09:30:13,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67
2025-08-31T09:30:13,332   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
2025-08-31T09:30:13,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118
2025-08-31T09:30:13,336   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
2025-08-31T09:30:13,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68
2025-08-31T09:30:13,340   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
2025-08-31T09:30:13,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56
2025-08-31T09:30:13,343   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
2025-08-31T09:30:13,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6
2025-08-31T09:30:13,347   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
2025-08-31T09:30:13,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8
2025-08-31T09:30:13,351   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
2025-08-31T09:30:13,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47
2025-08-31T09:30:13,355   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
2025-08-31T09:30:13,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88
2025-08-31T09:30:13,359   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
2025-08-31T09:30:13,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32
2025-08-31T09:30:13,362   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
2025-08-31T09:30:13,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39
2025-08-31T09:30:13,366   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
2025-08-31T09:30:13,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14
2025-08-31T09:30:13,370   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
2025-08-31T09:30:13,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34
2025-08-31T09:30:13,374   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
2025-08-31T09:30:13,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22
2025-08-31T09:30:13,378   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
2025-08-31T09:30:13,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59
2025-08-31T09:30:13,382   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
2025-08-31T09:30:13,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51
2025-08-31T09:30:13,386   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
2025-08-31T09:30:13,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60
2025-08-31T09:30:13,390   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
2025-08-31T09:30:13,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128
2025-08-31T09:30:13,393   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
2025-08-31T09:30:13,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113
2025-08-31T09:30:13,397   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
2025-08-31T09:30:13,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82
2025-08-31T09:30:13,401   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
2025-08-31T09:30:13,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24
2025-08-31T09:30:13,405   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
2025-08-31T09:30:13,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33
2025-08-31T09:30:13,409   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
2025-08-31T09:30:13,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25
2025-08-31T09:30:13,413   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
2025-08-31T09:30:13,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26
2025-08-31T09:30:13,417   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
2025-08-31T09:30:13,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1
2025-08-31T09:30:13,420   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
2025-08-31T09:30:13,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52
2025-08-31T09:30:13,424   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
2025-08-31T09:30:13,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66
2025-08-31T09:30:13,428   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
2025-08-31T09:30:13,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94
2025-08-31T09:30:13,432   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
2025-08-31T09:30:13,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73
2025-08-31T09:30:13,436   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
2025-08-31T09:30:13,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13
2025-08-31T09:30:13,440   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
2025-08-31T09:30:13,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97
2025-08-31T09:30:13,444   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
2025-08-31T09:30:13,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45
2025-08-31T09:30:13,448   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
2025-08-31T09:30:13,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62
2025-08-31T09:30:13,452   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
2025-08-31T09:30:13,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18
2025-08-31T09:30:13,456   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
2025-08-31T09:30:13,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58
2025-08-31T09:30:13,460   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
2025-08-31T09:30:13,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104
2025-08-31T09:30:13,464   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
2025-08-31T09:30:13,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40
2025-08-31T09:30:13,467   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
2025-08-31T09:30:13,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126
2025-08-31T09:30:13,471   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
2025-08-31T09:30:13,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61
2025-08-31T09:30:13,475   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
2025-08-31T09:30:13,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30
2025-08-31T09:30:13,479   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
2025-08-31T09:30:13,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21
2025-08-31T09:30:13,483   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
2025-08-31T09:30:13,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106
2025-08-31T09:30:13,487   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
2025-08-31T09:30:13,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100
2025-08-31T09:30:13,491   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
2025-08-31T09:30:13,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57
2025-08-31T09:30:13,495   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
2025-08-31T09:30:13,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6
2025-08-31T09:30:13,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23
2025-08-31T09:30:13,501   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
2025-08-31T09:30:13,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B
2025-08-31T09:30:13,504   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
2025-08-31T09:30:13,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A
2025-08-31T09:30:13,508   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
2025-08-31T09:30:13,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A
2025-08-31T09:30:13,512   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
2025-08-31T09:30:13,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A
2025-08-31T09:30:13,516   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
2025-08-31T09:30:13,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22
2025-08-31T09:30:13,519   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
2025-08-31T09:30:13,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B
2025-08-31T09:30:13,523   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
2025-08-31T09:30:13,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B
2025-08-31T09:30:13,527   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
2025-08-31T09:30:13,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B
2025-08-31T09:30:13,531   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
2025-08-31T09:30:13,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A
2025-08-31T09:30:13,535   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
2025-08-31T09:30:13,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24
2025-08-31T09:30:13,539   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
2025-08-31T09:30:13,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25
2025-08-31T09:30:13,542   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
2025-08-31T09:30:13,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B
2025-08-31T09:30:13,546   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
2025-08-31T09:30:13,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26
2025-08-31T09:30:13,550   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
2025-08-31T09:30:13,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A
2025-08-31T09:30:13,553   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
2025-08-31T09:30:13,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27
2025-08-31T09:30:13,557   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
2025-08-31T09:30:13,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B
2025-08-31T09:30:13,561   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
2025-08-31T09:30:13,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A
2025-08-31T09:30:13,566   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
2025-08-31T09:30:13,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF
2025-08-31T09:30:13,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23
2025-08-31T09:30:13,573   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
2025-08-31T09:30:13,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43
2025-08-31T09:30:13,577   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
2025-08-31T09:30:13,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48
2025-08-31T09:30:13,581   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
2025-08-31T09:30:13,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11
2025-08-31T09:30:13,585   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
2025-08-31T09:30:13,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31
2025-08-31T09:30:13,588   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
2025-08-31T09:30:13,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15
2025-08-31T09:30:13,592   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
2025-08-31T09:30:13,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20
2025-08-31T09:30:13,596   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
2025-08-31T09:30:13,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6
2025-08-31T09:30:13,600   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
2025-08-31T09:30:13,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36
2025-08-31T09:30:13,604   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
2025-08-31T09:30:13,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8
2025-08-31T09:30:13,607   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
2025-08-31T09:30:13,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9
2025-08-31T09:30:13,612   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
2025-08-31T09:30:13,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47
2025-08-31T09:30:13,615   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
2025-08-31T09:30:13,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32
2025-08-31T09:30:13,620   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
2025-08-31T09:30:13,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39
2025-08-31T09:30:13,624   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
2025-08-31T09:30:13,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14
2025-08-31T09:30:13,628   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
2025-08-31T09:30:13,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34
2025-08-31T09:30:13,632   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
2025-08-31T09:30:13,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38
2025-08-31T09:30:13,636   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
2025-08-31T09:30:13,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22
2025-08-31T09:30:13,640   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
2025-08-31T09:30:13,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51
2025-08-31T09:30:13,644   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
2025-08-31T09:30:13,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29
2025-08-31T09:30:13,649   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
2025-08-31T09:30:13,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2
2025-08-31T09:30:13,653   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
2025-08-31T09:30:13,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19
2025-08-31T09:30:13,657   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
2025-08-31T09:30:13,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24
2025-08-31T09:30:13,661   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
2025-08-31T09:30:13,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33
2025-08-31T09:30:13,664   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
2025-08-31T09:30:13,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25
2025-08-31T09:30:13,668   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
2025-08-31T09:30:13,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28
2025-08-31T09:30:13,672   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
2025-08-31T09:30:13,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35
2025-08-31T09:30:13,676   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
2025-08-31T09:30:13,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50
2025-08-31T09:30:13,681   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
2025-08-31T09:30:13,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16
2025-08-31T09:30:13,685   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
2025-08-31T09:30:13,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26
2025-08-31T09:30:13,689   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
2025-08-31T09:30:13,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1
2025-08-31T09:30:13,693   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
2025-08-31T09:30:13,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52
2025-08-31T09:30:13,697   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
2025-08-31T09:30:13,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10
2025-08-31T09:30:13,701   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
2025-08-31T09:30:13,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5
2025-08-31T09:30:13,704   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
2025-08-31T09:30:13,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41
2025-08-31T09:30:13,709   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
2025-08-31T09:30:13,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37
2025-08-31T09:30:13,713   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
2025-08-31T09:30:13,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49
2025-08-31T09:30:13,717   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
2025-08-31T09:30:13,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12
2025-08-31T09:30:13,721   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
2025-08-31T09:30:13,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13
2025-08-31T09:30:13,725   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
2025-08-31T09:30:13,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45
2025-08-31T09:30:13,729   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
2025-08-31T09:30:13,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18
2025-08-31T09:30:13,733   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
2025-08-31T09:30:13,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7
2025-08-31T09:30:13,737   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
2025-08-31T09:30:13,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40
2025-08-31T09:30:13,741   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
2025-08-31T09:30:13,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30
2025-08-31T09:30:13,745   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
2025-08-31T09:30:13,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21
2025-08-31T09:30:13,749   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
2025-08-31T09:30:13,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27
2025-08-31T09:30:13,753   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
2025-08-31T09:30:13,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3
2025-08-31T09:30:13,757   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
2025-08-31T09:30:13,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44
2025-08-31T09:30:13,761   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
2025-08-31T09:30:13,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42
2025-08-31T09:30:13,765   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
2025-08-31T09:30:13,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46
2025-08-31T09:30:13,769   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
2025-08-31T09:30:13,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4
2025-08-31T09:30:13,773   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
2025-08-31T09:30:13,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17
2025-08-31T09:30:13,777   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
2025-08-31T09:30:13,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27
2025-08-31T09:30:13,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4
2025-08-31T09:30:13,783   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
2025-08-31T09:30:13,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:30:13,787   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
2025-08-31T09:30:13,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm
2025-08-31T09:30:13,791   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
2025-08-31T09:30:13,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:30:13,794   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
2025-08-31T09:30:13,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:30:13,798   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
2025-08-31T09:30:13,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:30:13,802   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
2025-08-31T09:30:13,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:30:13,806   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
2025-08-31T09:30:13,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:30:13,809   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
2025-08-31T09:30:13,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:30:13,813   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
2025-08-31T09:30:13,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:30:13,817   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
2025-08-31T09:30:13,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es
2025-08-31T09:30:13,821   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
2025-08-31T09:30:13,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:30:13,825   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
2025-08-31T09:30:13,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3
2025-08-31T09:30:13,829   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
2025-08-31T09:30:13,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b
2025-08-31T09:30:13,832   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
2025-08-31T09:30:13,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:30:13,836   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
2025-08-31T09:30:13,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2
2025-08-31T09:30:13,840   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
2025-08-31T09:30:13,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20
2025-08-31T09:30:13,843   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
2025-08-31T09:30:13,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:30:13,847   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
2025-08-31T09:30:13,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:30:13,851   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
2025-08-31T09:30:13,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5
2025-08-31T09:30:13,855   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
2025-08-31T09:30:13,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:30:13,858   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
2025-08-31T09:30:13,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:30:13,862   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
2025-08-31T09:30:13,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:30:13,866   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
2025-08-31T09:30:13,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op
2025-08-31T09:30:13,871   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
2025-08-31T09:30:13,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c
2025-08-31T09:30:13,875   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
2025-08-31T09:30:13,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:30:13,879   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
2025-08-31T09:30:13,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:30:13,883   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
2025-08-31T09:30:13,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O
2025-08-31T09:30:13,887   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
2025-08-31T09:30:13,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:30:13,891   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
2025-08-31T09:30:13,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6
2025-08-31T09:30:13,895   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
2025-08-31T09:30:13,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28
2025-08-31T09:30:13,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:30:13,902   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
2025-08-31T09:30:13,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi
2025-08-31T09:30:13,906   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
2025-08-31T09:30:13,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:30:13,910   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
2025-08-31T09:30:13,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:30:13,913   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
2025-08-31T09:30:13,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:30:13,917   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
2025-08-31T09:30:13,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:30:13,921   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
2025-08-31T09:30:13,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:30:13,925   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
2025-08-31T09:30:13,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:30:13,929   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
2025-08-31T09:30:13,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:30:13,932   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
2025-08-31T09:30:13,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2
2025-08-31T09:30:13,936   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
2025-08-31T09:30:13,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:30:13,939   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
2025-08-31T09:30:13,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:30:13,943   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
2025-08-31T09:30:13,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:30:13,947   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
2025-08-31T09:30:13,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:30:13,951   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
2025-08-31T09:30:13,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:30:13,955   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
2025-08-31T09:30:13,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr
2025-08-31T09:30:13,959   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
2025-08-31T09:30:13,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:30:13,963   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
2025-08-31T09:30:13,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:30:13,967   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
2025-08-31T09:30:13,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:30:13,971   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
2025-08-31T09:30:13,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:30:13,975   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
2025-08-31T09:30:13,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:30:13,978   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
2025-08-31T09:30:13,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:30:13,982   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
2025-08-31T09:30:13,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o
2025-08-31T09:30:13,986   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
2025-08-31T09:30:13,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:30:13,990   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
2025-08-31T09:30:13,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:30:13,994   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
2025-08-31T09:30:13,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:30:13,998   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
2025-08-31T09:30:14,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:30:14,001   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
2025-08-31T09:30:14,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s
2025-08-31T09:30:14,005   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
2025-08-31T09:30:14,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:30:14,009   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
2025-08-31T09:30:14,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:30:14,013   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
2025-08-31T09:30:14,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:30:14,016   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
2025-08-31T09:30:14,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:30:14,020   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
2025-08-31T09:30:14,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:30:14,024   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
2025-08-31T09:30:14,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:30:14,027   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
2025-08-31T09:30:14,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3
2025-08-31T09:30:14,031   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
2025-08-31T09:30:14,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:30:14,035   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
2025-08-31T09:30:14,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl
2025-08-31T09:30:14,039   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
2025-08-31T09:30:14,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3
2025-08-31T09:30:14,043   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
2025-08-31T09:30:14,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23
2025-08-31T09:30:14,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p
2025-08-31T09:30:14,048   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
2025-08-31T09:30:14,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d
2025-08-31T09:30:14,052   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
2025-08-31T09:30:14,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a
2025-08-31T09:30:14,056   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
2025-08-31T09:30:14,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a
2025-08-31T09:30:14,060   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
2025-08-31T09:30:14,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m
2025-08-31T09:30:14,064   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
2025-08-31T09:30:14,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p
2025-08-31T09:30:14,068   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
2025-08-31T09:30:14,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p
2025-08-31T09:30:14,072   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
2025-08-31T09:30:14,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a
2025-08-31T09:30:14,076   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
2025-08-31T09:30:14,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f
2025-08-31T09:30:14,080   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
2025-08-31T09:30:14,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p
2025-08-31T09:30:14,084   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
2025-08-31T09:30:14,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a
2025-08-31T09:30:14,088   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
2025-08-31T09:30:14,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a
2025-08-31T09:30:14,092   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
2025-08-31T09:30:14,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d
2025-08-31T09:30:14,096   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
2025-08-31T09:30:14,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b
2025-08-31T09:30:14,100   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
2025-08-31T09:30:14,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g
2025-08-31T09:30:14,104   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
2025-08-31T09:30:14,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b
2025-08-31T09:30:14,108   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
2025-08-31T09:30:14,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa
2025-08-31T09:30:14,112   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
2025-08-31T09:30:14,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e
2025-08-31T09:30:14,116   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
2025-08-31T09:30:14,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b
2025-08-31T09:30:14,120   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
2025-08-31T09:30:14,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b
2025-08-31T09:30:14,124   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
2025-08-31T09:30:14,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a
2025-08-31T09:30:14,128   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
2025-08-31T09:30:14,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z
2025-08-31T09:30:14,132   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
2025-08-31T09:30:14,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c
2025-08-31T09:30:14,136   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
2025-08-31T09:30:14,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h
2025-08-31T09:30:14,140   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
2025-08-31T09:30:14,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12
2025-08-31T09:30:14,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:30:14,147   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
2025-08-31T09:30:14,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:30:14,151   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
2025-08-31T09:30:14,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:30:14,155   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
2025-08-31T09:30:14,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:30:14,160   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
2025-08-31T09:30:14,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:30:14,163   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
2025-08-31T09:30:14,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:30:14,167   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
2025-08-31T09:30:14,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:30:14,171   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
2025-08-31T09:30:14,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:30:14,174   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
2025-08-31T09:30:14,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N
2025-08-31T09:30:14,178   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
2025-08-31T09:30:14,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:30:14,181   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
2025-08-31T09:30:14,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:30:14,185   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
2025-08-31T09:30:14,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O
2025-08-31T09:30:14,189   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
2025-08-31T09:30:14,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:30:14,193   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
2025-08-31T09:30:14,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:30:14,197   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
2025-08-31T09:30:14,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N
2025-08-31T09:30:14,200   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
2025-08-31T09:30:14,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:30:14,204   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
2025-08-31T09:30:14,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O
2025-08-31T09:30:14,208   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
2025-08-31T09:30:14,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N
2025-08-31T09:30:14,212   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
2025-08-31T09:30:14,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:30:14,216   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
2025-08-31T09:30:14,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:30:14,219   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
2025-08-31T09:30:14,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N
2025-08-31T09:30:14,223   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
2025-08-31T09:30:14,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:30:14,227   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
2025-08-31T09:30:14,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL
2025-08-31T09:30:14,231   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
2025-08-31T09:30:14,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:30:14,235   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
2025-08-31T09:30:14,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:30:14,239   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
2025-08-31T09:30:14,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:30:14,243   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
2025-08-31T09:30:14,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O
2025-08-31T09:30:14,246   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
2025-08-31T09:30:14,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:30:14,251   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
2025-08-31T09:30:14,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:30:14,255   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
2025-08-31T09:30:14,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O
2025-08-31T09:30:14,259   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
2025-08-31T09:30:14,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL
2025-08-31T09:30:14,262   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
2025-08-31T09:30:14,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:30:14,266   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
2025-08-31T09:30:14,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL
2025-08-31T09:30:14,270   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
2025-08-31T09:30:14,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL
2025-08-31T09:30:14,274   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
2025-08-31T09:30:14,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:30:14,277   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
2025-08-31T09:30:14,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:30:14,281   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
2025-08-31T09:30:14,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24
2025-08-31T09:30:14,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS
2025-08-31T09:30:14,288   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
2025-08-31T09:30:14,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3
2025-08-31T09:30:14,292   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
2025-08-31T09:30:14,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:30:14,296   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
2025-08-31T09:30:14,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:30:14,300   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
2025-08-31T09:30:14,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:30:14,304   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
2025-08-31T09:30:14,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:30:14,308   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
2025-08-31T09:30:14,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS
2025-08-31T09:30:14,311   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
2025-08-31T09:30:14,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:30:14,315   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
2025-08-31T09:30:14,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:30:14,319   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
2025-08-31T09:30:14,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:30:14,323   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
2025-08-31T09:30:14,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:30:14,327   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
2025-08-31T09:30:14,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:30:14,331   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
2025-08-31T09:30:14,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:30:14,334   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
2025-08-31T09:30:14,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene
2025-08-31T09:30:14,338   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
2025-08-31T09:30:14,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:30:14,342   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
2025-08-31T09:30:14,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:30:14,346   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
2025-08-31T09:30:14,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether
2025-08-31T09:30:14,350   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
2025-08-31T09:30:14,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:30:14,354   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
2025-08-31T09:30:14,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3
2025-08-31T09:30:14,358   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
2025-08-31T09:30:14,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS
2025-08-31T09:30:14,362   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
2025-08-31T09:30:14,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:30:14,365   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
2025-08-31T09:30:14,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:30:14,369   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
2025-08-31T09:30:14,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:30:14,373   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
2025-08-31T09:30:14,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph
2025-08-31T09:30:14,377   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
2025-08-31T09:30:14,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:30:14,381   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
2025-08-31T09:30:14,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene
2025-08-31T09:30:14,385   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
2025-08-31T09:30:14,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:30:14,389   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
2025-08-31T09:30:14,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS
2025-08-31T09:30:14,393   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
2025-08-31T09:30:14,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:30:14,397   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
2025-08-31T09:30:14,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:30:14,400   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
2025-08-31T09:30:14,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S
2025-08-31T09:30:14,404   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
2025-08-31T09:30:14,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:30:14,408   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
2025-08-31T09:30:14,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3
2025-08-31T09:30:14,412   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
2025-08-31T09:30:14,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3
2025-08-31T09:30:14,416   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
2025-08-31T09:30:14,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:30:14,419   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
2025-08-31T09:30:14,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:30:14,423   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
2025-08-31T09:30:14,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3
2025-08-31T09:30:14,427   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
2025-08-31T09:30:14,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:30:14,431   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
2025-08-31T09:30:14,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:30:14,435   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
2025-08-31T09:30:14,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:30:14,439   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
2025-08-31T09:30:14,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether
2025-08-31T09:30:14,443   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
2025-08-31T09:30:14,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:30:14,446   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
2025-08-31T09:30:14,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:30:14,450   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
2025-08-31T09:30:14,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O
2025-08-31T09:30:14,454   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
2025-08-31T09:30:14,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:30:14,458   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
2025-08-31T09:30:14,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:30:14,462   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
2025-08-31T09:30:14,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2
2025-08-31T09:30:14,466   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
2025-08-31T09:30:14,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:30:14,469   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
2025-08-31T09:30:14,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21
2025-08-31T09:30:14,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2
2025-08-31T09:30:14,475   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
2025-08-31T09:30:14,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4
2025-08-31T09:30:14,479   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
2025-08-31T09:30:14,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6
2025-08-31T09:30:14,483   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
2025-08-31T09:30:14,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3
2025-08-31T09:30:14,487   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
2025-08-31T09:30:14,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2
2025-08-31T09:30:14,491   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
2025-08-31T09:30:14,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e
2025-08-31T09:30:14,495   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
2025-08-31T09:30:14,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1
2025-08-31T09:30:14,498   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
2025-08-31T09:30:14,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3
2025-08-31T09:30:14,502   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
2025-08-31T09:30:14,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1
2025-08-31T09:30:14,506   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
2025-08-31T09:30:14,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1
2025-08-31T09:30:14,510   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
2025-08-31T09:30:14,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e
2025-08-31T09:30:14,515   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
2025-08-31T09:30:14,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e
2025-08-31T09:30:14,519   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
2025-08-31T09:30:14,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3
2025-08-31T09:30:14,523   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
2025-08-31T09:30:14,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr
2025-08-31T09:30:14,527   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
2025-08-31T09:30:14,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1
2025-08-31T09:30:14,530   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
2025-08-31T09:30:14,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e
2025-08-31T09:30:14,535   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
2025-08-31T09:30:14,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2
2025-08-31T09:30:14,538   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
2025-08-31T09:30:14,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p
2025-08-31T09:30:14,542   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
2025-08-31T09:30:14,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1
2025-08-31T09:30:14,546   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
2025-08-31T09:30:14,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e
2025-08-31T09:30:14,550   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
2025-08-31T09:30:14,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1
2025-08-31T09:30:14,553   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
2025-08-31T09:30:14,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2
2025-08-31T09:30:14,557   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
2025-08-31T09:30:14,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1
2025-08-31T09:30:14,561   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
2025-08-31T09:30:14,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e
2025-08-31T09:30:14,565   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
2025-08-31T09:30:14,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1
2025-08-31T09:30:14,569   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
2025-08-31T09:30:14,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e
2025-08-31T09:30:14,572   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
2025-08-31T09:30:14,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me
2025-08-31T09:30:14,576   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
2025-08-31T09:30:14,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3
2025-08-31T09:30:14,580   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
2025-08-31T09:30:14,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2
2025-08-31T09:30:14,584   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
2025-08-31T09:30:14,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p
2025-08-31T09:30:14,588   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
2025-08-31T09:30:14,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5
2025-08-31T09:30:14,593   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
2025-08-31T09:30:14,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e
2025-08-31T09:30:14,596   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
2025-08-31T09:30:14,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene
2025-08-31T09:30:14,601   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
2025-08-31T09:30:14,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e
2025-08-31T09:30:14,605   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
2025-08-31T09:30:14,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1
2025-08-31T09:30:14,608   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
2025-08-31T09:30:14,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e
2025-08-31T09:30:14,612   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
2025-08-31T09:30:14,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int
2025-08-31T09:30:14,616   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
2025-08-31T09:30:14,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2
2025-08-31T09:30:14,620   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
2025-08-31T09:30:14,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3
2025-08-31T09:30:14,624   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
2025-08-31T09:30:14,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2
2025-08-31T09:30:14,628   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
2025-08-31T09:30:14,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3
2025-08-31T09:30:14,632   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
2025-08-31T09:30:14,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43
2025-08-31T09:30:14,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29
2025-08-31T09:30:14,639   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
2025-08-31T09:30:14,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28
2025-08-31T09:30:14,642   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
2025-08-31T09:30:14,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20
2025-08-31T09:30:14,646   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
2025-08-31T09:30:14,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9
2025-08-31T09:30:14,650   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
2025-08-31T09:30:14,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33
2025-08-31T09:30:14,653   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
2025-08-31T09:30:14,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24
2025-08-31T09:30:14,657   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
2025-08-31T09:30:14,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11
2025-08-31T09:30:14,660   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
2025-08-31T09:30:14,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41
2025-08-31T09:30:14,664   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
2025-08-31T09:30:14,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15
2025-08-31T09:30:14,668   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
2025-08-31T09:30:14,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16
2025-08-31T09:30:14,672   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
2025-08-31T09:30:14,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38
2025-08-31T09:30:14,676   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
2025-08-31T09:30:14,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36
2025-08-31T09:30:14,680   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
2025-08-31T09:30:14,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19
2025-08-31T09:30:14,684   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
2025-08-31T09:30:14,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32
2025-08-31T09:30:14,689   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
2025-08-31T09:30:14,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8
2025-08-31T09:30:14,692   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
2025-08-31T09:30:14,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40
2025-08-31T09:30:14,696   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
2025-08-31T09:30:14,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34
2025-08-31T09:30:14,699   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
2025-08-31T09:30:14,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7
2025-08-31T09:30:14,703   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
2025-08-31T09:30:14,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24
2025-08-31T09:30:14,707   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
2025-08-31T09:30:14,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39
2025-08-31T09:30:14,711   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
2025-08-31T09:30:14,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17
2025-08-31T09:30:14,714   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
2025-08-31T09:30:14,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12
2025-08-31T09:30:14,718   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
2025-08-31T09:30:14,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35
2025-08-31T09:30:14,722   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
2025-08-31T09:30:14,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21
2025-08-31T09:30:14,727   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
2025-08-31T09:30:14,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44
2025-08-31T09:30:14,732   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
2025-08-31T09:30:14,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25
2025-08-31T09:30:14,735   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
2025-08-31T09:30:14,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1
2025-08-31T09:30:14,739   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
2025-08-31T09:30:14,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23
2025-08-31T09:30:14,743   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
2025-08-31T09:30:14,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37
2025-08-31T09:30:14,747   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
2025-08-31T09:30:14,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13
2025-08-31T09:30:14,750   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
2025-08-31T09:30:14,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44
2025-08-31T09:30:14,754   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
2025-08-31T09:30:14,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36
2025-08-31T09:30:14,758   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
2025-08-31T09:30:14,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4
2025-08-31T09:30:14,762   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
2025-08-31T09:30:14,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5
2025-08-31T09:30:14,767   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
2025-08-31T09:30:14,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13
2025-08-31T09:30:14,772   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
2025-08-31T09:30:14,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33
2025-08-31T09:30:14,777   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
2025-08-31T09:30:14,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39
2025-08-31T09:30:14,781   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
2025-08-31T09:30:14,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15
2025-08-31T09:30:14,785   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
2025-08-31T09:30:14,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31
2025-08-31T09:30:14,788   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
2025-08-31T09:30:14,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3
2025-08-31T09:30:14,792   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
2025-08-31T09:30:14,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31
2025-08-31T09:30:14,795   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
2025-08-31T09:30:14,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42
2025-08-31T09:30:14,799   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
2025-08-31T09:30:14,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22
2025-08-31T09:30:14,803   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
2025-08-31T09:30:14,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30
2025-08-31T09:30:14,807   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
2025-08-31T09:30:14,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43
2025-08-31T09:30:14,811   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
2025-08-31T09:30:14,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6
2025-08-31T09:30:14,814   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
2025-08-31T09:30:14,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38
2025-08-31T09:30:14,818   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
2025-08-31T09:30:14,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23
2025-08-31T09:30:14,822   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
2025-08-31T09:30:14,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10
2025-08-31T09:30:14,826   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
2025-08-31T09:30:14,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6
2025-08-31T09:30:14,830   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
2025-08-31T09:30:14,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4
2025-08-31T09:30:14,834   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
2025-08-31T09:30:14,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8
2025-08-31T09:30:14,837   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
2025-08-31T09:30:14,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16
2025-08-31T09:30:14,841   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
2025-08-31T09:30:14,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28
2025-08-31T09:30:14,845   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
2025-08-31T09:30:14,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18
2025-08-31T09:30:14,849   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
2025-08-31T09:30:14,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19
2025-08-31T09:30:14,852   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
2025-08-31T09:30:14,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43
2025-08-31T09:30:14,856   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
2025-08-31T09:30:14,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2
2025-08-31T09:30:14,860   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
2025-08-31T09:30:14,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32
2025-08-31T09:30:14,864   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
2025-08-31T09:30:14,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20
2025-08-31T09:30:14,867   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
2025-08-31T09:30:14,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3
2025-08-31T09:30:14,871   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
2025-08-31T09:30:14,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27
2025-08-31T09:30:14,875   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
2025-08-31T09:30:14,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40
2025-08-31T09:30:14,879   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
2025-08-31T09:30:14,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11
2025-08-31T09:30:14,883   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
2025-08-31T09:30:14,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35
2025-08-31T09:30:14,887   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
2025-08-31T09:30:14,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26
2025-08-31T09:30:14,891   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
2025-08-31T09:30:14,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26
2025-08-31T09:30:14,895   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
2025-08-31T09:30:14,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21
2025-08-31T09:30:14,899   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
2025-08-31T09:30:14,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42
2025-08-31T09:30:14,903   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
2025-08-31T09:30:14,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18
2025-08-31T09:30:14,906   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
2025-08-31T09:30:14,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41
2025-08-31T09:30:14,910   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
2025-08-31T09:30:14,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5
2025-08-31T09:30:14,914   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
2025-08-31T09:30:14,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37
2025-08-31T09:30:14,918   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
2025-08-31T09:30:14,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9
2025-08-31T09:30:14,922   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
2025-08-31T09:30:14,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1
2025-08-31T09:30:14,926   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
2025-08-31T09:30:14,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45
2025-08-31T09:30:14,930   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
2025-08-31T09:30:14,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7
2025-08-31T09:30:14,933   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
2025-08-31T09:30:14,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29
2025-08-31T09:30:14,937   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
2025-08-31T09:30:14,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17
2025-08-31T09:30:14,941   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
2025-08-31T09:30:14,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2
2025-08-31T09:30:14,945   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
2025-08-31T09:30:14,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12
2025-08-31T09:30:14,949   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
2025-08-31T09:30:14,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34
2025-08-31T09:30:14,953   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
2025-08-31T09:30:14,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10
2025-08-31T09:30:14,956   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
2025-08-31T09:30:14,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27
2025-08-31T09:30:14,960   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
2025-08-31T09:30:14,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45
2025-08-31T09:30:14,964   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
2025-08-31T09:30:14,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22
2025-08-31T09:30:14,968   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
2025-08-31T09:30:14,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25
2025-08-31T09:30:14,972   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
2025-08-31T09:30:14,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30
2025-08-31T09:30:14,976   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
2025-08-31T09:30:14,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI
2025-08-31T09:30:14,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:30:14,983   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
2025-08-31T09:30:14,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:30:14,986   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
2025-08-31T09:30:14,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:30:14,990   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
2025-08-31T09:30:14,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6
2025-08-31T09:30:14,994   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
2025-08-31T09:30:14,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5
2025-08-31T09:30:14,998   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
2025-08-31T09:30:15,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2
2025-08-31T09:30:15,001   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
2025-08-31T09:30:15,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:30:15,005   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
2025-08-31T09:30:15,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:30:15,009   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
2025-08-31T09:30:15,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:30:15,013   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
2025-08-31T09:30:15,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:30:15,017   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
2025-08-31T09:30:15,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4
2025-08-31T09:30:15,021   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
2025-08-31T09:30:15,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6
2025-08-31T09:30:15,024   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
2025-08-31T09:30:15,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts
2025-08-31T09:30:15,028   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
2025-08-31T09:30:15,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:30:15,032   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
2025-08-31T09:30:15,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:30:15,036   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
2025-08-31T09:30:15,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5
2025-08-31T09:30:15,039   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
2025-08-31T09:30:15,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts
2025-08-31T09:30:15,043   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
2025-08-31T09:30:15,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:30:15,047   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
2025-08-31T09:30:15,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:30:15,051   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
2025-08-31T09:30:15,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9
2025-08-31T09:30:15,055   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
2025-08-31T09:30:15,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts
2025-08-31T09:30:15,059   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
2025-08-31T09:30:15,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts
2025-08-31T09:30:15,063   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
2025-08-31T09:30:15,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8
2025-08-31T09:30:15,067   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
2025-08-31T09:30:15,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:30:15,071   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
2025-08-31T09:30:15,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts
2025-08-31T09:30:15,075   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
2025-08-31T09:30:15,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r
2025-08-31T09:30:15,079   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
2025-08-31T09:30:15,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:30:15,083   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
2025-08-31T09:30:15,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:30:15,087   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
2025-08-31T09:30:15,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r
2025-08-31T09:30:15,091   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
2025-08-31T09:30:15,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3
2025-08-31T09:30:15,095   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
2025-08-31T09:30:15,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts
2025-08-31T09:30:15,098   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
2025-08-31T09:30:15,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts
2025-08-31T09:30:15,102   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
2025-08-31T09:30:15,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts
2025-08-31T09:30:15,106   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
2025-08-31T09:30:15,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:30:15,110   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
2025-08-31T09:30:15,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r
2025-08-31T09:30:15,114   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
2025-08-31T09:30:15,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10
2025-08-31T09:30:15,117   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
2025-08-31T09:30:15,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:30:15,121   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
2025-08-31T09:30:15,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r
2025-08-31T09:30:15,125   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
2025-08-31T09:30:15,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r
2025-08-31T09:30:15,129   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
2025-08-31T09:30:15,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:30:15,132   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
2025-08-31T09:30:15,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:30:15,136   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
2025-08-31T09:30:15,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r
2025-08-31T09:30:15,140   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
2025-08-31T09:30:15,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r
2025-08-31T09:30:15,144   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
2025-08-31T09:30:15,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4
2025-08-31T09:30:15,148   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
2025-08-31T09:30:15,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r
2025-08-31T09:30:15,152   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
2025-08-31T09:30:15,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1
2025-08-31T09:30:15,155   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
2025-08-31T09:30:15,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7
2025-08-31T09:30:15,159   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
2025-08-31T09:30:15,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:30:15,163   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
2025-08-31T09:30:15,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2
2025-08-31T09:30:15,167   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
2025-08-31T09:30:15,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11
2025-08-31T09:30:15,170   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
2025-08-31T09:30:15,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:30:15,174   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
2025-08-31T09:30:15,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:30:15,178   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
2025-08-31T09:30:15,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:30:15,181   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
2025-08-31T09:30:15,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9
2025-08-31T09:30:15,185   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
2025-08-31T09:30:15,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1
2025-08-31T09:30:15,189   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
2025-08-31T09:30:15,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts
2025-08-31T09:30:15,193   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
2025-08-31T09:30:15,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:30:15,196   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
2025-08-31T09:30:15,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7
2025-08-31T09:30:15,200   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
2025-08-31T09:30:15,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:30:15,204   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
2025-08-31T09:30:15,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3
2025-08-31T09:30:15,208   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
2025-08-31T09:30:15,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8
2025-08-31T09:30:15,212   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
2025-08-31T09:30:15,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4
2025-08-31T09:30:15,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:30:15,218   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
2025-08-31T09:30:15,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:30:15,221   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
2025-08-31T09:30:15,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:30:15,225   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
2025-08-31T09:30:15,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:30:15,229   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
2025-08-31T09:30:15,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:30:15,233   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
2025-08-31T09:30:15,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h
2025-08-31T09:30:15,236   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
2025-08-31T09:30:15,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:30:15,240   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
2025-08-31T09:30:15,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:30:15,244   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+
2025-08-31T09:30:15,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:30:15,248   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
2025-08-31T09:30:15,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:30:15,252   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
2025-08-31T09:30:15,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:30:15,256   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
2025-08-31T09:30:15,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o
2025-08-31T09:30:15,259   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
2025-08-31T09:30:15,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:30:15,263   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
2025-08-31T09:30:15,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:30:15,266   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
2025-08-31T09:30:15,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:30:15,270   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
2025-08-31T09:30:15,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:30:15,274   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
2025-08-31T09:30:15,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:30:15,278   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
2025-08-31T09:30:15,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+
2025-08-31T09:30:15,282   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+
2025-08-31T09:30:15,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:30:15,285   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
2025-08-31T09:30:15,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:30:15,289   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
2025-08-31T09:30:15,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:30:15,293   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+
2025-08-31T09:30:15,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3
2025-08-31T09:30:15,297   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
2025-08-31T09:30:15,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he
2025-08-31T09:30:15,300   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
2025-08-31T09:30:15,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP
2025-08-31T09:30:15,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f
2025-08-31T09:30:15,306   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
2025-08-31T09:30:15,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2
2025-08-31T09:30:15,310   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
2025-08-31T09:30:15,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l
2025-08-31T09:30:15,313   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
2025-08-31T09:30:15,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer
2025-08-31T09:30:15,317   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
2025-08-31T09:30:15,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant
2025-08-31T09:30:15,321   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
2025-08-31T09:30:15,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene
2025-08-31T09:30:15,325   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
2025-08-31T09:30:15,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1
2025-08-31T09:30:15,329   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
2025-08-31T09:30:15,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22
2025-08-31T09:30:15,333   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
2025-08-31T09:30:15,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l
2025-08-31T09:30:15,337   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
2025-08-31T09:30:15,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1
2025-08-31T09:30:15,341   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
2025-08-31T09:30:15,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2
2025-08-31T09:30:15,345   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
2025-08-31T09:30:15,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f
2025-08-31T09:30:15,349   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
2025-08-31T09:30:15,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2
2025-08-31T09:30:15,353   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
2025-08-31T09:30:15,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL
2025-08-31T09:30:15,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:30:15,360   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
2025-08-31T09:30:15,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:30:15,364   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
2025-08-31T09:30:15,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:30:15,368   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
2025-08-31T09:30:15,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:30:15,372   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
2025-08-31T09:30:15,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:30:15,376   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
2025-08-31T09:30:15,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:30:15,380   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
2025-08-31T09:30:15,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:30:15,383   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
2025-08-31T09:30:15,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:30:15,387   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
2025-08-31T09:30:15,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:30:15,391   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
2025-08-31T09:30:15,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:30:15,395   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
2025-08-31T09:30:15,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:30:15,398   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
2025-08-31T09:30:15,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:30:15,402   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
2025-08-31T09:30:15,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:30:15,406   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
2025-08-31T09:30:15,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:30:15,410   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
2025-08-31T09:30:15,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:30:15,413   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
2025-08-31T09:30:15,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:30:15,417   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
2025-08-31T09:30:15,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:30:15,421   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
2025-08-31T09:30:15,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:30:15,425   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
2025-08-31T09:30:15,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:30:15,429   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
2025-08-31T09:30:15,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:30:15,433   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
2025-08-31T09:30:15,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:30:15,437   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
2025-08-31T09:30:15,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:30:15,441   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
2025-08-31T09:30:15,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:30:15,444   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
2025-08-31T09:30:15,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:30:15,448   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
2025-08-31T09:30:15,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:30:15,453   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
2025-08-31T09:30:15,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:30:15,456   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
2025-08-31T09:30:15,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:30:15,460   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
2025-08-31T09:30:15,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:30:15,464   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
2025-08-31T09:30:15,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:30:15,468   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
2025-08-31T09:30:15,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:30:15,472   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
2025-08-31T09:30:15,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:30:15,476   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
2025-08-31T09:30:15,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:30:15,480   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
2025-08-31T09:30:15,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:30:15,484   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
2025-08-31T09:30:15,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:30:15,488   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
2025-08-31T09:30:15,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:30:15,492   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
2025-08-31T09:30:15,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:30:15,496   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
2025-08-31T09:30:15,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:30:15,499   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
2025-08-31T09:30:15,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:30:15,503   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
2025-08-31T09:30:15,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:30:15,507   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
2025-08-31T09:30:15,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:30:15,511   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
2025-08-31T09:30:15,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:30:15,515   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
2025-08-31T09:30:15,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:30:15,519   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
2025-08-31T09:30:15,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:30:15,523   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
2025-08-31T09:30:15,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:30:15,528   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
2025-08-31T09:30:15,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:30:15,532   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
2025-08-31T09:30:15,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:30:15,537   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
2025-08-31T09:30:15,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:30:15,540   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
2025-08-31T09:30:15,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:30:15,544   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
2025-08-31T09:30:15,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:30:15,548   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
2025-08-31T09:30:15,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:30:15,552   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
2025-08-31T09:30:15,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:30:15,556   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
2025-08-31T09:30:15,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:30:15,559   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
2025-08-31T09:30:15,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:30:15,563   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
2025-08-31T09:30:15,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:30:15,567   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
2025-08-31T09:30:15,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:30:15,571   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
2025-08-31T09:30:15,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:30:15,576   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
2025-08-31T09:30:15,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:30:15,580   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
2025-08-31T09:30:15,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:30:15,584   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
2025-08-31T09:30:15,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:30:15,588   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
2025-08-31T09:30:15,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:30:15,593   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
2025-08-31T09:30:15,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:30:15,597   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
2025-08-31T09:30:15,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:30:15,602   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
2025-08-31T09:30:15,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:30:15,606   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
2025-08-31T09:30:15,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:30:15,611   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
2025-08-31T09:30:15,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:30:15,617   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
2025-08-31T09:30:15,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10
2025-08-31T09:30:15,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li
2025-08-31T09:30:15,630   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
2025-08-31T09:30:15,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio
2025-08-31T09:30:15,634   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
2025-08-31T09:30:15,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h
2025-08-31T09:30:15,638   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
2025-08-31T09:30:15,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif
2025-08-31T09:30:15,643   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
2025-08-31T09:30:15,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s
2025-08-31T09:30:15,647   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
2025-08-31T09:30:15,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na
2025-08-31T09:30:15,653   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
2025-08-31T09:30:15,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo
2025-08-31T09:30:15,657   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
2025-08-31T09:30:15,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg
2025-08-31T09:30:15,661   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
2025-08-31T09:30:15,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k
2025-08-31T09:30:15,665   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
2025-08-31T09:30:15,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o
2025-08-31T09:30:15,669   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
2025-08-31T09:30:15,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf
2025-08-31T09:30:15,672   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
2025-08-31T09:30:15,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be
2025-08-31T09:30:15,676   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
2025-08-31T09:30:15,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao
2025-08-31T09:30:15,680   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
2025-08-31T09:30:15,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:30:15,683   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
2025-08-31T09:30:15,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f
2025-08-31T09:30:15,687   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
2025-08-31T09:30:15,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf
2025-08-31T09:30:15,691   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
2025-08-31T09:30:15,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:30:15,695   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
2025-08-31T09:30:15,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao
2025-08-31T09:30:15,699   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
2025-08-31T09:30:15,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca
2025-08-31T09:30:15,702   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
2025-08-31T09:30:15,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef
2025-08-31T09:30:15,706   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
2025-08-31T09:30:15,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF
2025-08-31T09:30:15,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg
2025-08-31T09:30:15,712   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
2025-08-31T09:30:15,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:30:15,716   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+
2025-08-31T09:30:15,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:30:15,720   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-
2025-08-31T09:30:15,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt
2025-08-31T09:30:15,723   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
2025-08-31T09:30:15,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX
2025-08-31T09:30:15,727   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
2025-08-31T09:30:15,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG
2025-08-31T09:30:15,731   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
2025-08-31T09:30:15,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:30:15,735   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-
2025-08-31T09:30:15,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt
2025-08-31T09:30:15,739   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
2025-08-31T09:30:15,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:30:15,743   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-
2025-08-31T09:30:15,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt
2025-08-31T09:30:15,747   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
2025-08-31T09:30:15,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:30:15,750   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-
2025-08-31T09:30:15,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG
2025-08-31T09:30:15,754   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
2025-08-31T09:30:15,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T
2025-08-31T09:30:15,758   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
2025-08-31T09:30:15,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT
2025-08-31T09:30:15,761   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
2025-08-31T09:30:15,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:30:15,765   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+
2025-08-31T09:30:15,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg
2025-08-31T09:30:15,769   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
2025-08-31T09:30:15,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G
2025-08-31T09:30:15,773   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
2025-08-31T09:30:15,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg
2025-08-31T09:30:15,777   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
2025-08-31T09:30:15,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23
2025-08-31T09:30:15,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23
2025-08-31T09:30:15,783   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
2025-08-31T09:30:15,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11
2025-08-31T09:30:15,787   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
2025-08-31T09:30:15,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b
2025-08-31T09:30:15,791   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
2025-08-31T09:30:15,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15
2025-08-31T09:30:15,795   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
2025-08-31T09:30:15,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a
2025-08-31T09:30:15,798   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
2025-08-31T09:30:15,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a
2025-08-31T09:30:15,802   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
2025-08-31T09:30:15,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20
2025-08-31T09:30:15,806   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
2025-08-31T09:30:15,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6
2025-08-31T09:30:15,809   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
2025-08-31T09:30:15,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b
2025-08-31T09:30:15,813   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
2025-08-31T09:30:15,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b
2025-08-31T09:30:15,817   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
2025-08-31T09:30:15,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8
2025-08-31T09:30:15,821   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
2025-08-31T09:30:15,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9
2025-08-31T09:30:15,825   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
2025-08-31T09:30:15,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b
2025-08-31T09:30:15,829   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
2025-08-31T09:30:15,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a
2025-08-31T09:30:15,833   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
2025-08-31T09:30:15,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a
2025-08-31T09:30:15,837   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
2025-08-31T09:30:15,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a
2025-08-31T09:30:15,841   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
2025-08-31T09:30:15,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14
2025-08-31T09:30:15,845   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
2025-08-31T09:30:15,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b
2025-08-31T09:30:15,849   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
2025-08-31T09:30:15,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22
2025-08-31T09:30:15,853   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
2025-08-31T09:30:15,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b
2025-08-31T09:30:15,857   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
2025-08-31T09:30:15,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b
2025-08-31T09:30:15,861   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
2025-08-31T09:30:15,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a
2025-08-31T09:30:15,865   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
2025-08-31T09:30:15,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a
2025-08-31T09:30:15,868   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
2025-08-31T09:30:15,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a
2025-08-31T09:30:15,872   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
2025-08-31T09:30:15,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b
2025-08-31T09:30:15,876   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
2025-08-31T09:30:15,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a
2025-08-31T09:30:15,881   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
2025-08-31T09:30:15,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2
2025-08-31T09:30:15,885   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
2025-08-31T09:30:15,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19
2025-08-31T09:30:15,890   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
2025-08-31T09:30:15,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a
2025-08-31T09:30:15,894   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
2025-08-31T09:30:15,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b
2025-08-31T09:30:15,897   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
2025-08-31T09:30:15,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16
2025-08-31T09:30:15,901   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
2025-08-31T09:30:15,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b
2025-08-31T09:30:15,904   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
2025-08-31T09:30:15,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a
2025-08-31T09:30:15,908   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
2025-08-31T09:30:15,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1
2025-08-31T09:30:15,912   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
2025-08-31T09:30:15,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b
2025-08-31T09:30:15,916   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
2025-08-31T09:30:15,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a
2025-08-31T09:30:15,920   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
2025-08-31T09:30:15,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b
2025-08-31T09:30:15,924   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
2025-08-31T09:30:15,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a
2025-08-31T09:30:15,929   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
2025-08-31T09:30:15,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a
2025-08-31T09:30:15,933   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
2025-08-31T09:30:15,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b
2025-08-31T09:30:15,937   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
2025-08-31T09:30:15,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10
2025-08-31T09:30:15,940   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
2025-08-31T09:30:15,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5
2025-08-31T09:30:15,944   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
2025-08-31T09:30:15,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a
2025-08-31T09:30:15,948   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
2025-08-31T09:30:15,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b
2025-08-31T09:30:15,951   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
2025-08-31T09:30:15,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b
2025-08-31T09:30:15,955   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
2025-08-31T09:30:15,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b
2025-08-31T09:30:15,959   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
2025-08-31T09:30:15,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b
2025-08-31T09:30:15,963   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
2025-08-31T09:30:15,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a
2025-08-31T09:30:15,967   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
2025-08-31T09:30:15,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a
2025-08-31T09:30:15,972   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
2025-08-31T09:30:15,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12
2025-08-31T09:30:15,976   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
2025-08-31T09:30:15,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a
2025-08-31T09:30:15,980   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
2025-08-31T09:30:15,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a
2025-08-31T09:30:15,984   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
2025-08-31T09:30:15,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13
2025-08-31T09:30:15,988   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
2025-08-31T09:30:15,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b
2025-08-31T09:30:15,992   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
2025-08-31T09:30:15,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a
2025-08-31T09:30:15,995   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
2025-08-31T09:30:15,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a
2025-08-31T09:30:15,999   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
2025-08-31T09:30:16,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18
2025-08-31T09:30:16,003   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
2025-08-31T09:30:16,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7
2025-08-31T09:30:16,007   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
2025-08-31T09:30:16,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b
2025-08-31T09:30:16,011   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
2025-08-31T09:30:16,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a
2025-08-31T09:30:16,015   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
2025-08-31T09:30:16,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b
2025-08-31T09:30:16,019   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
2025-08-31T09:30:16,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21
2025-08-31T09:30:16,023   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
2025-08-31T09:30:16,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b
2025-08-31T09:30:16,027   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
2025-08-31T09:30:16,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3
2025-08-31T09:30:16,031   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
2025-08-31T09:30:16,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a
2025-08-31T09:30:16,035   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
2025-08-31T09:30:16,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b
2025-08-31T09:30:16,039   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
2025-08-31T09:30:16,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4
2025-08-31T09:30:16,042   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
2025-08-31T09:30:16,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17
2025-08-31T09:30:16,046   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
2025-08-31T09:30:16,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b
2025-08-31T09:30:16,050   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
2025-08-31T09:30:16,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16
2025-08-31T09:30:16,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A
2025-08-31T09:30:16,056   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
2025-08-31T09:30:16,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228
2025-08-31T09:30:16,060   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
2025-08-31T09:30:16,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213
2025-08-31T09:30:16,064   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
2025-08-31T09:30:16,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B
2025-08-31T09:30:16,068   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
2025-08-31T09:30:16,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A
2025-08-31T09:30:16,072   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
2025-08-31T09:30:16,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B
2025-08-31T09:30:16,076   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
2025-08-31T09:30:16,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B
2025-08-31T09:30:16,080   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
2025-08-31T09:30:16,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A
2025-08-31T09:30:16,084   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
2025-08-31T09:30:16,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A
2025-08-31T09:30:16,088   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
2025-08-31T09:30:16,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212
2025-08-31T09:30:16,091   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
2025-08-31T09:30:16,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B
2025-08-31T09:30:16,095   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
2025-08-31T09:30:16,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202
2025-08-31T09:30:16,099   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
2025-08-31T09:30:16,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152
2025-08-31T09:30:16,104   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
2025-08-31T09:30:16,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B
2025-08-31T09:30:16,108   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
2025-08-31T09:30:16,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B
2025-08-31T09:30:16,112   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
2025-08-31T09:30:16,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008
2025-08-31T09:30:16,116   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
2025-08-31T09:30:16,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A
2025-08-31T09:30:16,120   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
2025-08-31T09:30:16,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A
2025-08-31T09:30:16,123   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
2025-08-31T09:30:16,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150
2025-08-31T09:30:16,127   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
2025-08-31T09:30:16,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A
2025-08-31T09:30:16,131   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
2025-08-31T09:30:16,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B
2025-08-31T09:30:16,135   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
2025-08-31T09:30:16,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A
2025-08-31T09:30:16,139   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
2025-08-31T09:30:16,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B
2025-08-31T09:30:16,142   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
2025-08-31T09:30:16,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B
2025-08-31T09:30:16,146   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
2025-08-31T09:30:16,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A
2025-08-31T09:30:16,150   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
2025-08-31T09:30:16,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B
2025-08-31T09:30:16,153   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
2025-08-31T09:30:16,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230
2025-08-31T09:30:16,157   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
2025-08-31T09:30:16,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A
2025-08-31T09:30:16,161   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
2025-08-31T09:30:16,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B
2025-08-31T09:30:16,164   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
2025-08-31T09:30:16,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229
2025-08-31T09:30:16,168   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
2025-08-31T09:30:16,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B
2025-08-31T09:30:16,172   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
2025-08-31T09:30:16,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144
2025-08-31T09:30:16,176   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
2025-08-31T09:30:16,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147
2025-08-31T09:30:16,180   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
2025-08-31T09:30:16,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B
2025-08-31T09:30:16,184   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
2025-08-31T09:30:16,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A
2025-08-31T09:30:16,188   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
2025-08-31T09:30:16,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227
2025-08-31T09:30:16,192   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
2025-08-31T09:30:16,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148
2025-08-31T09:30:16,196   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
2025-08-31T09:30:16,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B
2025-08-31T09:30:16,200   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
2025-08-31T09:30:16,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A
2025-08-31T09:30:16,204   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
2025-08-31T09:30:16,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187
2025-08-31T09:30:16,207   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
2025-08-31T09:30:16,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A
2025-08-31T09:30:16,211   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
2025-08-31T09:30:16,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A
2025-08-31T09:30:16,215   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
2025-08-31T09:30:16,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214
2025-08-31T09:30:16,219   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
2025-08-31T09:30:16,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B
2025-08-31T09:30:16,223   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
2025-08-31T09:30:16,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A
2025-08-31T09:30:16,227   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
2025-08-31T09:30:16,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231
2025-08-31T09:30:16,231   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
2025-08-31T09:30:16,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B
2025-08-31T09:30:16,235   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
2025-08-31T09:30:16,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A
2025-08-31T09:30:16,239   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
2025-08-31T09:30:16,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21
2025-08-31T09:30:16,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A
2025-08-31T09:30:16,245   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
2025-08-31T09:30:16,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B
2025-08-31T09:30:16,249   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
2025-08-31T09:30:16,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A
2025-08-31T09:30:16,253   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
2025-08-31T09:30:16,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11
2025-08-31T09:30:16,257   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
2025-08-31T09:30:16,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B
2025-08-31T09:30:16,261   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
2025-08-31T09:30:16,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A
2025-08-31T09:30:16,264   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
2025-08-31T09:30:16,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A
2025-08-31T09:30:16,268   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
2025-08-31T09:30:16,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A
2025-08-31T09:30:16,273   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
2025-08-31T09:30:16,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B
2025-08-31T09:30:16,276   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
2025-08-31T09:30:16,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15
2025-08-31T09:30:16,280   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
2025-08-31T09:30:16,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A
2025-08-31T09:30:16,284   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
2025-08-31T09:30:16,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A
2025-08-31T09:30:16,288   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
2025-08-31T09:30:16,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20
2025-08-31T09:30:16,292   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
2025-08-31T09:30:16,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6
2025-08-31T09:30:16,295   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
2025-08-31T09:30:16,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A
2025-08-31T09:30:16,299   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
2025-08-31T09:30:16,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8
2025-08-31T09:30:16,303   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
2025-08-31T09:30:16,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9
2025-08-31T09:30:16,307   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
2025-08-31T09:30:16,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B
2025-08-31T09:30:16,311   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
2025-08-31T09:30:16,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B
2025-08-31T09:30:16,315   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
2025-08-31T09:30:16,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B
2025-08-31T09:30:16,318   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
2025-08-31T09:30:16,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A
2025-08-31T09:30:16,322   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
2025-08-31T09:30:16,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14
2025-08-31T09:30:16,326   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
2025-08-31T09:30:16,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B
2025-08-31T09:30:16,330   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
2025-08-31T09:30:16,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A
2025-08-31T09:30:16,334   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
2025-08-31T09:30:16,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B
2025-08-31T09:30:16,337   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
2025-08-31T09:30:16,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A
2025-08-31T09:30:16,341   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
2025-08-31T09:30:16,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B
2025-08-31T09:30:16,345   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
2025-08-31T09:30:16,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A
2025-08-31T09:30:16,349   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
2025-08-31T09:30:16,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A
2025-08-31T09:30:16,353   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
2025-08-31T09:30:16,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B
2025-08-31T09:30:16,356   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
2025-08-31T09:30:16,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B
2025-08-31T09:30:16,361   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
2025-08-31T09:30:16,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B
2025-08-31T09:30:16,365   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
2025-08-31T09:30:16,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2
2025-08-31T09:30:16,369   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
2025-08-31T09:30:16,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19
2025-08-31T09:30:16,373   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
2025-08-31T09:30:16,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B
2025-08-31T09:30:16,378   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
2025-08-31T09:30:16,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B
2025-08-31T09:30:16,382   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
2025-08-31T09:30:16,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16
2025-08-31T09:30:16,385   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
2025-08-31T09:30:16,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1
2025-08-31T09:30:16,389   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
2025-08-31T09:30:16,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B
2025-08-31T09:30:16,393   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
2025-08-31T09:30:16,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B
2025-08-31T09:30:16,397   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
2025-08-31T09:30:16,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B
2025-08-31T09:30:16,401   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
2025-08-31T09:30:16,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A
2025-08-31T09:30:16,405   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
2025-08-31T09:30:16,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B
2025-08-31T09:30:16,409   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
2025-08-31T09:30:16,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A
2025-08-31T09:30:16,413   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
2025-08-31T09:30:16,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10
2025-08-31T09:30:16,416   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
2025-08-31T09:30:16,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5
2025-08-31T09:30:16,420   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
2025-08-31T09:30:16,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A
2025-08-31T09:30:16,424   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
2025-08-31T09:30:16,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A
2025-08-31T09:30:16,428   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
2025-08-31T09:30:16,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A
2025-08-31T09:30:16,432   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
2025-08-31T09:30:16,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12
2025-08-31T09:30:16,436   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
2025-08-31T09:30:16,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13
2025-08-31T09:30:16,440   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
2025-08-31T09:30:16,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18
2025-08-31T09:30:16,443   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
2025-08-31T09:30:16,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7
2025-08-31T09:30:16,447   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
2025-08-31T09:30:16,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B
2025-08-31T09:30:16,451   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
2025-08-31T09:30:16,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B
2025-08-31T09:30:16,455   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
2025-08-31T09:30:16,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A
2025-08-31T09:30:16,459   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
2025-08-31T09:30:16,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21
2025-08-31T09:30:16,463   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
2025-08-31T09:30:16,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B
2025-08-31T09:30:16,467   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
2025-08-31T09:30:16,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3
2025-08-31T09:30:16,471   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
2025-08-31T09:30:16,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A
2025-08-31T09:30:16,476   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
2025-08-31T09:30:16,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A
2025-08-31T09:30:16,479   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
2025-08-31T09:30:16,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4
2025-08-31T09:30:16,483   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
2025-08-31T09:30:16,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17
2025-08-31T09:30:16,488   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
2025-08-31T09:30:16,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC
2025-08-31T09:30:16,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:30:16,494   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
2025-08-31T09:30:16,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3
2025-08-31T09:30:16,498   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
2025-08-31T09:30:16,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F
2025-08-31T09:30:16,502   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
2025-08-31T09:30:16,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut
2025-08-31T09:30:16,506   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
2025-08-31T09:30:16,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:30:16,510   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
2025-08-31T09:30:16,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2
2025-08-31T09:30:16,514   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
2025-08-31T09:30:16,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H
2025-08-31T09:30:16,518   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
2025-08-31T09:30:16,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz
2025-08-31T09:30:16,522   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
2025-08-31T09:30:16,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3
2025-08-31T09:30:16,526   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
2025-08-31T09:30:16,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:30:16,530   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
2025-08-31T09:30:16,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:30:16,534   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
2025-08-31T09:30:16,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3
2025-08-31T09:30:16,538   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
2025-08-31T09:30:16,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:30:16,542   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
2025-08-31T09:30:16,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3
2025-08-31T09:30:16,546   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
2025-08-31T09:30:16,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch
2025-08-31T09:30:16,550   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
2025-08-31T09:30:16,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2
2025-08-31T09:30:16,554   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
2025-08-31T09:30:16,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3
2025-08-31T09:30:16,559   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
2025-08-31T09:30:16,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:30:16,563   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
2025-08-31T09:30:16,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3
2025-08-31T09:30:16,567   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
2025-08-31T09:30:16,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:30:16,571   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
2025-08-31T09:30:16,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3
2025-08-31T09:30:16,575   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
2025-08-31T09:30:16,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8
2025-08-31T09:30:16,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:30:16,581   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
2025-08-31T09:30:16,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8
2025-08-31T09:30:16,584   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
2025-08-31T09:30:16,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c
2025-08-31T09:30:16,588   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
2025-08-31T09:30:16,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:30:16,592   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
2025-08-31T09:30:16,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+
2025-08-31T09:30:16,595   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+
2025-08-31T09:30:16,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:30:16,599   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
2025-08-31T09:30:16,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2
2025-08-31T09:30:16,603   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
2025-08-31T09:30:16,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:30:16,607   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
2025-08-31T09:30:16,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4
2025-08-31T09:30:16,610   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
2025-08-31T09:30:16,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8
2025-08-31T09:30:16,614   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
2025-08-31T09:30:16,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+
2025-08-31T09:30:16,618   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+
2025-08-31T09:30:16,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch
2025-08-31T09:30:16,622   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
2025-08-31T09:30:16,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2
2025-08-31T09:30:16,626   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
2025-08-31T09:30:16,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me
2025-08-31T09:30:16,630   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
2025-08-31T09:30:16,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me
2025-08-31T09:30:16,634   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
2025-08-31T09:30:16,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2
2025-08-31T09:30:16,637   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
2025-08-31T09:30:16,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h
2025-08-31T09:30:16,641   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
2025-08-31T09:30:16,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6
2025-08-31T09:30:16,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3
2025-08-31T09:30:16,647   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
2025-08-31T09:30:16,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6
2025-08-31T09:30:16,651   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
2025-08-31T09:30:16,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:30:16,655   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
2025-08-31T09:30:16,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2
2025-08-31T09:30:16,659   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
2025-08-31T09:30:16,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6
2025-08-31T09:30:16,663   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
2025-08-31T09:30:16,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3
2025-08-31T09:30:16,667   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
2025-08-31T09:30:16,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4
2025-08-31T09:30:16,671   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
2025-08-31T09:30:16,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3
2025-08-31T09:30:16,675   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
2025-08-31T09:30:16,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6
2025-08-31T09:30:16,678   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
2025-08-31T09:30:16,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5
2025-08-31T09:30:16,682   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
2025-08-31T09:30:16,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3
2025-08-31T09:30:16,686   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
2025-08-31T09:30:16,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18
2025-08-31T09:30:16,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:30:16,692   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
2025-08-31T09:30:16,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:30:16,696   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
2025-08-31T09:30:16,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:30:16,699   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
2025-08-31T09:30:16,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:30:16,703   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
2025-08-31T09:30:16,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s
2025-08-31T09:30:16,707   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
2025-08-31T09:30:16,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:30:16,711   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
2025-08-31T09:30:16,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:30:16,714   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
2025-08-31T09:30:16,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2
2025-08-31T09:30:16,718   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
2025-08-31T09:30:16,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:30:16,722   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
2025-08-31T09:30:16,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:30:16,726   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
2025-08-31T09:30:16,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3
2025-08-31T09:30:16,729   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
2025-08-31T09:30:16,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3
2025-08-31T09:30:16,733   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
2025-08-31T09:30:16,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:30:16,737   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
2025-08-31T09:30:16,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:30:16,740   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
2025-08-31T09:30:16,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:30:16,744   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
2025-08-31T09:30:16,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3
2025-08-31T09:30:16,748   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
2025-08-31T09:30:16,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:30:16,752   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
2025-08-31T09:30:16,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:30:16,756   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
2025-08-31T09:30:16,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:30:16,760   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
2025-08-31T09:30:16,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s
2025-08-31T09:30:16,764   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
2025-08-31T09:30:16,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3
2025-08-31T09:30:16,768   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
2025-08-31T09:30:16,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:30:16,772   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
2025-08-31T09:30:16,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:30:16,775   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
2025-08-31T09:30:16,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:30:16,779   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
2025-08-31T09:30:16,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3
2025-08-31T09:30:16,783   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
2025-08-31T09:30:16,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22
2025-08-31T09:30:16,787   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
2025-08-31T09:30:16,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:30:16,791   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
2025-08-31T09:30:16,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s
2025-08-31T09:30:16,795   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
2025-08-31T09:30:16,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3
2025-08-31T09:30:16,798   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
2025-08-31T09:30:16,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76
2025-08-31T09:30:16,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH
2025-08-31T09:30:16,805   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
2025-08-31T09:30:16,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl
2025-08-31T09:30:16,809   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
2025-08-31T09:30:16,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02
2025-08-31T09:30:16,813   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
2025-08-31T09:30:16,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:30:16,817   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
2025-08-31T09:30:16,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o
2025-08-31T09:30:16,820   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
2025-08-31T09:30:16,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2
2025-08-31T09:30:16,824   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
2025-08-31T09:30:16,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05
2025-08-31T09:30:16,828   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
2025-08-31T09:30:16,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08
2025-08-31T09:30:16,831   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
2025-08-31T09:30:16,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18
2025-08-31T09:30:16,835   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
2025-08-31T09:30:16,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h
2025-08-31T09:30:16,839   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
2025-08-31T09:30:16,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts
2025-08-31T09:30:16,843   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
2025-08-31T09:30:16,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06
2025-08-31T09:30:16,847   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
2025-08-31T09:30:16,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2
2025-08-31T09:30:16,850   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
2025-08-31T09:30:16,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts
2025-08-31T09:30:16,854   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
2025-08-31T09:30:16,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5
2025-08-31T09:30:16,858   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
2025-08-31T09:30:16,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15
2025-08-31T09:30:16,862   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
2025-08-31T09:30:16,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts
2025-08-31T09:30:16,866   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
2025-08-31T09:30:16,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts
2025-08-31T09:30:16,870   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
2025-08-31T09:30:16,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc
2025-08-31T09:30:16,873   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
2025-08-31T09:30:16,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf
2025-08-31T09:30:16,877   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
2025-08-31T09:30:16,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts
2025-08-31T09:30:16,881   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
2025-08-31T09:30:16,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco
2025-08-31T09:30:16,885   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
2025-08-31T09:30:16,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4
2025-08-31T09:30:16,889   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
2025-08-31T09:30:16,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14
2025-08-31T09:30:16,893   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
2025-08-31T09:30:16,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh
2025-08-31T09:30:16,897   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
2025-08-31T09:30:16,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13
2025-08-31T09:30:16,901   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
2025-08-31T09:30:16,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:30:16,905   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
2025-08-31T09:30:16,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09
2025-08-31T09:30:16,910   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
2025-08-31T09:30:16,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf
2025-08-31T09:30:16,914   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
2025-08-31T09:30:16,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2
2025-08-31T09:30:16,918   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
2025-08-31T09:30:16,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2
2025-08-31T09:30:16,922   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
2025-08-31T09:30:16,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07
2025-08-31T09:30:16,926   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
2025-08-31T09:30:16,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8
2025-08-31T09:30:16,930   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
2025-08-31T09:30:16,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts
2025-08-31T09:30:16,934   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
2025-08-31T09:30:16,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10
2025-08-31T09:30:16,937   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
2025-08-31T09:30:16,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts
2025-08-31T09:30:16,941   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
2025-08-31T09:30:16,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts
2025-08-31T09:30:16,945   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
2025-08-31T09:30:16,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:30:16,949   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
2025-08-31T09:30:16,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts
2025-08-31T09:30:16,952   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
2025-08-31T09:30:16,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2
2025-08-31T09:30:16,956   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
2025-08-31T09:30:16,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl
2025-08-31T09:30:16,960   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
2025-08-31T09:30:16,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f
2025-08-31T09:30:16,964   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
2025-08-31T09:30:16,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19
2025-08-31T09:30:16,967   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
2025-08-31T09:30:16,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts
2025-08-31T09:30:16,971   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
2025-08-31T09:30:16,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03
2025-08-31T09:30:16,975   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
2025-08-31T09:30:16,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts
2025-08-31T09:30:16,978   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
2025-08-31T09:30:16,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3
2025-08-31T09:30:16,982   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
2025-08-31T09:30:16,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16
2025-08-31T09:30:16,985   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
2025-08-31T09:30:16,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3
2025-08-31T09:30:16,989   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
2025-08-31T09:30:16,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12
2025-08-31T09:30:16,993   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
2025-08-31T09:30:16,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6
2025-08-31T09:30:16,997   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
2025-08-31T09:30:17,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:30:17,001   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
2025-08-31T09:30:17,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S
2025-08-31T09:30:17,005   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
2025-08-31T09:30:17,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01
2025-08-31T09:30:17,009   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
2025-08-31T09:30:17,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O
2025-08-31T09:30:17,012   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
2025-08-31T09:30:17,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04
2025-08-31T09:30:17,016   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
2025-08-31T09:30:17,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20
2025-08-31T09:30:17,020   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
2025-08-31T09:30:17,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts
2025-08-31T09:30:17,023   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
2025-08-31T09:30:17,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7
2025-08-31T09:30:17,027   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
2025-08-31T09:30:17,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H
2025-08-31T09:30:17,031   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
2025-08-31T09:30:17,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-
2025-08-31T09:30:17,035   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-
2025-08-31T09:30:17,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS
2025-08-31T09:30:17,039   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
2025-08-31T09:30:17,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3
2025-08-31T09:30:17,043   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
2025-08-31T09:30:17,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-
2025-08-31T09:30:17,047   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-
2025-08-31T09:30:17,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4
2025-08-31T09:30:17,051   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
2025-08-31T09:30:17,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2
2025-08-31T09:30:17,055   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
2025-08-31T09:30:17,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22
2025-08-31T09:30:17,059   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
2025-08-31T09:30:17,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5
2025-08-31T09:30:17,062   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
2025-08-31T09:30:17,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh
2025-08-31T09:30:17,066   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
2025-08-31T09:30:17,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:30:17,069   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
2025-08-31T09:30:17,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH
2025-08-31T09:30:17,073   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
2025-08-31T09:30:17,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:30:17,077   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
2025-08-31T09:30:17,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co
2025-08-31T09:30:17,081   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
2025-08-31T09:30:17,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts
2025-08-31T09:30:17,085   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
2025-08-31T09:30:17,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts
2025-08-31T09:30:17,090   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
2025-08-31T09:30:17,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f
2025-08-31T09:30:17,094   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
2025-08-31T09:30:17,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O
2025-08-31T09:30:17,098   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
2025-08-31T09:30:17,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2
2025-08-31T09:30:17,101   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
2025-08-31T09:30:17,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl
2025-08-31T09:30:17,105   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
2025-08-31T09:30:17,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts
2025-08-31T09:30:17,109   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
2025-08-31T09:30:17,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots
2025-08-31T09:30:17,113   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
2025-08-31T09:30:17,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn
2025-08-31T09:30:17,117   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
2025-08-31T09:30:17,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11
2025-08-31T09:30:17,121   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
2025-08-31T09:30:17,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21
2025-08-31T09:30:17,125   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
2025-08-31T09:30:17,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17
2025-08-31T09:30:17,130   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
2025-08-31T09:30:17,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-
2025-08-31T09:30:17,134   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-
2025-08-31T09:30:17,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24
2025-08-31T09:30:17,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e
2025-08-31T09:30:17,141   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
2025-08-31T09:30:17,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p
2025-08-31T09:30:17,144   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
2025-08-31T09:30:17,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e
2025-08-31T09:30:17,149   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
2025-08-31T09:30:17,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e
2025-08-31T09:30:17,153   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
2025-08-31T09:30:17,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p
2025-08-31T09:30:17,157   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
2025-08-31T09:30:17,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p
2025-08-31T09:30:17,160   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
2025-08-31T09:30:17,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p
2025-08-31T09:30:17,165   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
2025-08-31T09:30:17,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e
2025-08-31T09:30:17,170   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
2025-08-31T09:30:17,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e
2025-08-31T09:30:17,175   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
2025-08-31T09:30:17,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p
2025-08-31T09:30:17,179   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
2025-08-31T09:30:17,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e
2025-08-31T09:30:17,183   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
2025-08-31T09:30:17,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p
2025-08-31T09:30:17,186   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
2025-08-31T09:30:17,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p
2025-08-31T09:30:17,190   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
2025-08-31T09:30:17,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e
2025-08-31T09:30:17,194   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
2025-08-31T09:30:17,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e
2025-08-31T09:30:17,198   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
2025-08-31T09:30:17,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p
2025-08-31T09:30:17,203   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
2025-08-31T09:30:17,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p
2025-08-31T09:30:17,207   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
2025-08-31T09:30:17,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p
2025-08-31T09:30:17,211   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
2025-08-31T09:30:17,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e
2025-08-31T09:30:17,215   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
2025-08-31T09:30:17,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e
2025-08-31T09:30:17,219   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
2025-08-31T09:30:17,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e
2025-08-31T09:30:17,223   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
2025-08-31T09:30:17,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e
2025-08-31T09:30:17,227   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
2025-08-31T09:30:17,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p
2025-08-31T09:30:17,230   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
2025-08-31T09:30:17,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e
2025-08-31T09:30:17,234   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
2025-08-31T09:30:17,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e
2025-08-31T09:30:17,238   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
2025-08-31T09:30:17,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p
2025-08-31T09:30:17,242   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
2025-08-31T09:30:17,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p
2025-08-31T09:30:17,246   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
2025-08-31T09:30:17,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e
2025-08-31T09:30:17,250   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
2025-08-31T09:30:17,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p
2025-08-31T09:30:17,254   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
2025-08-31T09:30:17,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p
2025-08-31T09:30:17,258   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
2025-08-31T09:30:17,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e
2025-08-31T09:30:17,262   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
2025-08-31T09:30:17,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p
2025-08-31T09:30:17,266   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
2025-08-31T09:30:17,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p
2025-08-31T09:30:17,270   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
2025-08-31T09:30:17,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e
2025-08-31T09:30:17,274   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
2025-08-31T09:30:17,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p
2025-08-31T09:30:17,278   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
2025-08-31T09:30:17,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p
2025-08-31T09:30:17,281   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
2025-08-31T09:30:17,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e
2025-08-31T09:30:17,286   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
2025-08-31T09:30:17,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e
2025-08-31T09:30:17,290   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
2025-08-31T09:30:17,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p
2025-08-31T09:30:17,293   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
2025-08-31T09:30:17,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e
2025-08-31T09:30:17,297   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
2025-08-31T09:30:17,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e
2025-08-31T09:30:17,301   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
2025-08-31T09:30:17,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p
2025-08-31T09:30:17,305   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
2025-08-31T09:30:17,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e
2025-08-31T09:30:17,309   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
2025-08-31T09:30:17,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p
2025-08-31T09:30:17,312   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
2025-08-31T09:30:17,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p
2025-08-31T09:30:17,316   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
2025-08-31T09:30:17,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e
2025-08-31T09:30:17,320   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
2025-08-31T09:30:17,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e
2025-08-31T09:30:17,324   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
2025-08-31T09:30:17,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p
2025-08-31T09:30:17,328   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
2025-08-31T09:30:17,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10
2025-08-31T09:30:17,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8
2025-08-31T09:30:17,333   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
2025-08-31T09:30:17,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4
2025-08-31T09:30:17,337   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
2025-08-31T09:30:17,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6
2025-08-31T09:30:17,341   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
2025-08-31T09:30:17,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9
2025-08-31T09:30:17,345   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
2025-08-31T09:30:17,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10
2025-08-31T09:30:17,349   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
2025-08-31T09:30:17,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2
2025-08-31T09:30:17,352   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
2025-08-31T09:30:17,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1
2025-08-31T09:30:17,356   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
2025-08-31T09:30:17,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7
2025-08-31T09:30:17,360   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
2025-08-31T09:30:17,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5
2025-08-31T09:30:17,363   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
2025-08-31T09:30:17,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2
2025-08-31T09:30:17,367   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
2025-08-31T09:30:17,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4
2025-08-31T09:30:17,371   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
2025-08-31T09:30:17,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10
2025-08-31T09:30:17,375   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
2025-08-31T09:30:17,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6
2025-08-31T09:30:17,379   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
2025-08-31T09:30:17,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7
2025-08-31T09:30:17,382   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
2025-08-31T09:30:17,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1
2025-08-31T09:30:17,386   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
2025-08-31T09:30:17,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8
2025-08-31T09:30:17,390   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
2025-08-31T09:30:17,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9
2025-08-31T09:30:17,393   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
2025-08-31T09:30:17,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5
2025-08-31T09:30:17,397   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
2025-08-31T09:30:17,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3
2025-08-31T09:30:17,401   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
2025-08-31T09:30:17,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3
2025-08-31T09:30:17,405   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
2025-08-31T09:30:17,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05
2025-08-31T09:30:17,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A
2025-08-31T09:30:17,413   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
2025-08-31T09:30:17,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:30:17,417   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+
2025-08-31T09:30:17,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne
2025-08-31T09:30:17,421   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
2025-08-31T09:30:17,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20
2025-08-31T09:30:17,425   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
2025-08-31T09:30:17,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+
2025-08-31T09:30:17,429   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+
2025-08-31T09:30:17,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2
2025-08-31T09:30:17,433   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
2025-08-31T09:30:17,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+
2025-08-31T09:30:17,437   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+
2025-08-31T09:30:17,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12
2025-08-31T09:30:17,441   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
2025-08-31T09:30:17,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43
2025-08-31T09:30:17,445   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
2025-08-31T09:30:17,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48
2025-08-31T09:30:17,449   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
2025-08-31T09:30:17,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo
2025-08-31T09:30:17,452   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
2025-08-31T09:30:17,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp
2025-08-31T09:30:17,456   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
2025-08-31T09:30:17,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:30:17,460   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
2025-08-31T09:30:17,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm
2025-08-31T09:30:17,464   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
2025-08-31T09:30:17,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02
2025-08-31T09:30:17,468   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
2025-08-31T09:30:17,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:30:17,472   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
2025-08-31T09:30:17,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14
2025-08-31T09:30:17,476   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
2025-08-31T09:30:17,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:30:17,480   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
2025-08-31T09:30:17,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2
2025-08-31T09:30:17,484   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
2025-08-31T09:30:17,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe
2025-08-31T09:30:17,488   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
2025-08-31T09:30:17,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74
2025-08-31T09:30:17,492   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
2025-08-31T09:30:17,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s
2025-08-31T09:30:17,496   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
2025-08-31T09:30:17,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2
2025-08-31T09:30:17,500   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
2025-08-31T09:30:17,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:30:17,503   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
2025-08-31T09:30:17,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20
2025-08-31T09:30:17,507   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
2025-08-31T09:30:17,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:30:17,511   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
2025-08-31T09:30:17,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+
2025-08-31T09:30:17,515   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+
2025-08-31T09:30:17,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68
2025-08-31T09:30:17,519   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
2025-08-31T09:30:17,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a
2025-08-31T09:30:17,523   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
2025-08-31T09:30:17,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67
2025-08-31T09:30:17,526   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
2025-08-31T09:30:17,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A
2025-08-31T09:30:17,530   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
2025-08-31T09:30:17,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h
2025-08-31T09:30:17,534   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
2025-08-31T09:30:17,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20
2025-08-31T09:30:17,538   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
2025-08-31T09:30:17,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6
2025-08-31T09:30:17,542   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
2025-08-31T09:30:17,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71
2025-08-31T09:30:17,546   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
2025-08-31T09:30:17,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+
2025-08-31T09:30:17,549   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+
2025-08-31T09:30:17,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2
2025-08-31T09:30:17,553   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
2025-08-31T09:30:17,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1
2025-08-31T09:30:17,557   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
2025-08-31T09:30:17,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s
2025-08-31T09:30:17,561   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
2025-08-31T09:30:17,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8
2025-08-31T09:30:17,565   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
2025-08-31T09:30:17,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47
2025-08-31T09:30:17,568   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
2025-08-31T09:30:17,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si
2025-08-31T09:30:17,572   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
2025-08-31T09:30:17,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:30:17,576   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
2025-08-31T09:30:17,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc
2025-08-31T09:30:17,580   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
2025-08-31T09:30:17,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf
2025-08-31T09:30:17,584   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
2025-08-31T09:30:17,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21
2025-08-31T09:30:17,588   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
2025-08-31T09:30:17,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo
2025-08-31T09:30:17,592   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
2025-08-31T09:30:17,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco
2025-08-31T09:30:17,595   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
2025-08-31T09:30:17,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B
2025-08-31T09:30:17,599   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
2025-08-31T09:30:17,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39
2025-08-31T09:30:17,603   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
2025-08-31T09:30:17,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4
2025-08-31T09:30:17,606   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
2025-08-31T09:30:17,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg
2025-08-31T09:30:17,610   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
2025-08-31T09:30:17,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh
2025-08-31T09:30:17,614   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
2025-08-31T09:30:17,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A
2025-08-31T09:30:17,618   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
2025-08-31T09:30:17,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:30:17,622   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
2025-08-31T09:30:17,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k
2025-08-31T09:30:17,626   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
2025-08-31T09:30:17,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34
2025-08-31T09:30:17,630   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
2025-08-31T09:30:17,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o
2025-08-31T09:30:17,634   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
2025-08-31T09:30:17,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:30:17,638   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
2025-08-31T09:30:17,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59
2025-08-31T09:30:17,641   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
2025-08-31T09:30:17,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf
2025-08-31T09:30:17,645   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
2025-08-31T09:30:17,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4
2025-08-31T09:30:17,649   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
2025-08-31T09:30:17,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b
2025-08-31T09:30:17,652   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
2025-08-31T09:30:17,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3
2025-08-31T09:30:17,656   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
2025-08-31T09:30:17,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78
2025-08-31T09:30:17,660   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
2025-08-31T09:30:17,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3
2025-08-31T09:30:17,664   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
2025-08-31T09:30:17,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:30:17,667   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
2025-08-31T09:30:17,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4
2025-08-31T09:30:17,672   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
2025-08-31T09:30:17,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:30:17,675   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
2025-08-31T09:30:17,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p
2025-08-31T09:30:17,680   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
2025-08-31T09:30:17,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be
2025-08-31T09:30:17,684   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
2025-08-31T09:30:17,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:30:17,687   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
2025-08-31T09:30:17,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10
2025-08-31T09:30:17,691   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
2025-08-31T09:30:17,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B
2025-08-31T09:30:17,695   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
2025-08-31T09:30:17,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao
2025-08-31T09:30:17,699   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
2025-08-31T09:30:17,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A
2025-08-31T09:30:17,703   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
2025-08-31T09:30:17,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4
2025-08-31T09:30:17,707   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
2025-08-31T09:30:17,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:30:17,710   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-
2025-08-31T09:30:17,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B
2025-08-31T09:30:17,714   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
2025-08-31T09:30:17,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic
2025-08-31T09:30:17,718   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
2025-08-31T09:30:17,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:30:17,722   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
2025-08-31T09:30:17,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p
2025-08-31T09:30:17,726   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
2025-08-31T09:30:17,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2
2025-08-31T09:30:17,730   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
2025-08-31T09:30:17,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c
2025-08-31T09:30:17,734   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
2025-08-31T09:30:17,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:30:17,738   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
2025-08-31T09:30:17,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24
2025-08-31T09:30:17,741   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
2025-08-31T09:30:17,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B
2025-08-31T09:30:17,745   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
2025-08-31T09:30:17,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:30:17,749   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
2025-08-31T09:30:17,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b
2025-08-31T09:30:17,752   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
2025-08-31T09:30:17,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25
2025-08-31T09:30:17,756   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
2025-08-31T09:30:17,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76
2025-08-31T09:30:17,760   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
2025-08-31T09:30:17,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:30:17,764   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
2025-08-31T09:30:17,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1
2025-08-31T09:30:17,768   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
2025-08-31T09:30:17,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs
2025-08-31T09:30:17,772   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
2025-08-31T09:30:17,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr
2025-08-31T09:30:17,776   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
2025-08-31T09:30:17,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2
2025-08-31T09:30:17,780   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
2025-08-31T09:30:17,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl
2025-08-31T09:30:17,784   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
2025-08-31T09:30:17,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3
2025-08-31T09:30:17,789   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
2025-08-31T09:30:17,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f
2025-08-31T09:30:17,793   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
2025-08-31T09:30:17,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf
2025-08-31T09:30:17,797   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
2025-08-31T09:30:17,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B
2025-08-31T09:30:17,801   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
2025-08-31T09:30:17,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3
2025-08-31T09:30:17,805   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
2025-08-31T09:30:17,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64
2025-08-31T09:30:17,808   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
2025-08-31T09:30:17,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20
2025-08-31T09:30:17,812   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
2025-08-31T09:30:17,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80
2025-08-31T09:30:17,816   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
2025-08-31T09:30:17,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH
2025-08-31T09:30:17,820   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
2025-08-31T09:30:17,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh
2025-08-31T09:30:17,824   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
2025-08-31T09:30:17,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2
2025-08-31T09:30:17,828   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
2025-08-31T09:30:17,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S
2025-08-31T09:30:17,831   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
2025-08-31T09:30:17,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73
2025-08-31T09:30:17,835   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
2025-08-31T09:30:17,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5
2025-08-31T09:30:17,839   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
2025-08-31T09:30:17,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2
2025-08-31T09:30:17,842   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
2025-08-31T09:30:17,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1
2025-08-31T09:30:17,846   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
2025-08-31T09:30:17,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl
2025-08-31T09:30:17,850   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
2025-08-31T09:30:17,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s
2025-08-31T09:30:17,853   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
2025-08-31T09:30:17,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A
2025-08-31T09:30:17,857   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
2025-08-31T09:30:17,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25
2025-08-31T09:30:17,861   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
2025-08-31T09:30:17,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:30:17,865   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
2025-08-31T09:30:17,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:30:17,870   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
2025-08-31T09:30:17,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:30:17,874   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
2025-08-31T09:30:17,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:30:17,878   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
2025-08-31T09:30:17,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A
2025-08-31T09:30:17,882   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
2025-08-31T09:30:17,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+
2025-08-31T09:30:17,886   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+
2025-08-31T09:30:17,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts
2025-08-31T09:30:17,890   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
2025-08-31T09:30:17,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2
2025-08-31T09:30:17,894   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
2025-08-31T09:30:17,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn
2025-08-31T09:30:17,898   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
2025-08-31T09:30:17,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2
2025-08-31T09:30:17,902   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
2025-08-31T09:30:17,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca
2025-08-31T09:30:17,906   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
2025-08-31T09:30:17,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13
2025-08-31T09:30:17,910   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
2025-08-31T09:30:17,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:30:17,914   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
2025-08-31T09:30:17,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2
2025-08-31T09:30:17,919   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
2025-08-31T09:30:17,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1
2025-08-31T09:30:17,923   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
2025-08-31T09:30:17,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr
2025-08-31T09:30:17,927   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
2025-08-31T09:30:17,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:30:17,931   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
2025-08-31T09:30:17,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+
2025-08-31T09:30:17,934   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+
2025-08-31T09:30:17,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:30:17,939   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
2025-08-31T09:30:17,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45
2025-08-31T09:30:17,943   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
2025-08-31T09:30:17,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al
2025-08-31T09:30:17,947   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
2025-08-31T09:30:17,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18
2025-08-31T09:30:17,950   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
2025-08-31T09:30:17,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:30:17,954   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
2025-08-31T09:30:17,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3
2025-08-31T09:30:17,959   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
2025-08-31T09:30:17,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58
2025-08-31T09:30:17,963   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
2025-08-31T09:30:17,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s
2025-08-31T09:30:17,967   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
2025-08-31T09:30:17,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:30:17,971   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
2025-08-31T09:30:17,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:30:17,975   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
2025-08-31T09:30:17,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B
2025-08-31T09:30:17,979   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
2025-08-31T09:30:17,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr
2025-08-31T09:30:17,986   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
2025-08-31T09:30:17,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A
2025-08-31T09:30:17,992   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
2025-08-31T09:30:17,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B
2025-08-31T09:30:17,996   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
2025-08-31T09:30:17,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40
2025-08-31T09:30:18,000   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
2025-08-31T09:30:18,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:30:18,004   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
2025-08-31T09:30:18,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2
2025-08-31T09:30:18,008   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
2025-08-31T09:30:18,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2
2025-08-31T09:30:18,012   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
2025-08-31T09:30:18,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A
2025-08-31T09:30:18,017   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
2025-08-31T09:30:18,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh
2025-08-31T09:30:18,021   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
2025-08-31T09:30:18,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts
2025-08-31T09:30:18,025   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
2025-08-31T09:30:18,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f
2025-08-31T09:30:18,029   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
2025-08-31T09:30:18,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O
2025-08-31T09:30:18,033   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
2025-08-31T09:30:18,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2
2025-08-31T09:30:18,037   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
2025-08-31T09:30:18,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH
2025-08-31T09:30:18,041   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
2025-08-31T09:30:18,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl
2025-08-31T09:30:18,045   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
2025-08-31T09:30:18,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots
2025-08-31T09:30:18,049   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
2025-08-31T09:30:18,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn
2025-08-31T09:30:18,053   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
2025-08-31T09:30:18,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2
2025-08-31T09:30:18,057   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
2025-08-31T09:30:18,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3
2025-08-31T09:30:18,061   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
2025-08-31T09:30:18,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar
2025-08-31T09:30:18,065   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
2025-08-31T09:30:18,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4
2025-08-31T09:30:18,069   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
2025-08-31T09:30:18,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17
2025-08-31T09:30:18,073   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
2025-08-31T09:30:18,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he
2025-08-31T09:30:18,077   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
2025-08-31T09:30:18,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:30:18,081   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
2025-08-31T09:30:18,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF
2025-08-31T09:30:18,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:30:18,087   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
2025-08-31T09:30:18,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:30:18,091   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
2025-08-31T09:30:18,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:30:18,095   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
2025-08-31T09:30:18,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:30:18,099   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
2025-08-31T09:30:18,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2
2025-08-31T09:30:18,103   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
2025-08-31T09:30:18,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:30:18,107   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
2025-08-31T09:30:18,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:30:18,111   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
2025-08-31T09:30:18,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:30:18,115   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
2025-08-31T09:30:18,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:30:18,120   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
2025-08-31T09:30:18,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:30:18,124   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
2025-08-31T09:30:18,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:30:18,128   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
2025-08-31T09:30:18,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:30:18,132   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
2025-08-31T09:30:18,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:30:18,136   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
2025-08-31T09:30:18,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:30:18,140   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
2025-08-31T09:30:18,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:30:18,143   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
2025-08-31T09:30:18,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:30:18,147   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
2025-08-31T09:30:18,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:30:18,151   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
2025-08-31T09:30:18,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:30:18,155   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
2025-08-31T09:30:18,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:30:18,159   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
2025-08-31T09:30:18,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:30:18,163   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
2025-08-31T09:30:18,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:30:18,167   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
2025-08-31T09:30:18,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:30:18,171   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
2025-08-31T09:30:18,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:30:18,175   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
2025-08-31T09:30:18,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:30:18,179   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
2025-08-31T09:30:18,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:30:18,183   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
2025-08-31T09:30:18,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1
2025-08-31T09:30:18,186   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
2025-08-31T09:30:18,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:30:18,190   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
2025-08-31T09:30:18,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC
2025-08-31T09:30:18,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene
2025-08-31T09:30:18,196   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
2025-08-31T09:30:18,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene
2025-08-31T09:30:18,200   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
2025-08-31T09:30:18,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine
2025-08-31T09:30:18,204   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
2025-08-31T09:30:18,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1
2025-08-31T09:30:18,208   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
2025-08-31T09:30:18,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X
2025-08-31T09:30:18,212   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
2025-08-31T09:30:18,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5
2025-08-31T09:30:18,218   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
2025-08-31T09:30:18,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3
2025-08-31T09:30:18,222   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
2025-08-31T09:30:18,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6
2025-08-31T09:30:18,226   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
2025-08-31T09:30:18,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane
2025-08-31T09:30:18,230   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
2025-08-31T09:30:18,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4
2025-08-31T09:30:18,234   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
2025-08-31T09:30:18,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8
2025-08-31T09:30:18,237   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
2025-08-31T09:30:18,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X
2025-08-31T09:30:18,241   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
2025-08-31T09:30:18,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2
2025-08-31T09:30:18,245   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
2025-08-31T09:30:18,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X
2025-08-31T09:30:18,250   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
2025-08-31T09:30:18,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH
2025-08-31T09:30:18,254   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
2025-08-31T09:30:18,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene
2025-08-31T09:30:18,259   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
2025-08-31T09:30:18,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X
2025-08-31T09:30:18,264   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
2025-08-31T09:30:18,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9
2025-08-31T09:30:18,268   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
2025-08-31T09:30:18,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7
2025-08-31T09:30:18,273   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
2025-08-31T09:30:18,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein
2025-08-31T09:30:18,278   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
2025-08-31T09:30:18,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10
2025-08-31T09:30:18,283   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
2025-08-31T09:30:18,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene
2025-08-31T09:30:18,287   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
2025-08-31T09:30:18,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11
2025-08-31T09:30:18,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:30:18,293   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
2025-08-31T09:30:18,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:30:18,296   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
2025-08-31T09:30:18,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:30:18,300   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
2025-08-31T09:30:18,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br
2025-08-31T09:30:18,304   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
2025-08-31T09:30:18,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:30:18,308   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
2025-08-31T09:30:18,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:30:18,312   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
2025-08-31T09:30:18,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:30:18,316   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
2025-08-31T09:30:18,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:30:18,321   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
2025-08-31T09:30:18,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:30:18,325   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
2025-08-31T09:30:18,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:30:18,330   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
2025-08-31T09:30:18,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:30:18,334   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
2025-08-31T09:30:18,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:30:18,338   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
2025-08-31T09:30:18,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:30:18,342   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
2025-08-31T09:30:18,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:30:18,346   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
2025-08-31T09:30:18,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:30:18,350   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
2025-08-31T09:30:18,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:30:18,354   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
2025-08-31T09:30:18,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:30:18,358   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
2025-08-31T09:30:18,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:30:18,362   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
2025-08-31T09:30:18,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:30:18,367   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
2025-08-31T09:30:18,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:30:18,371   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
2025-08-31T09:30:18,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:30:18,375   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
2025-08-31T09:30:18,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:30:18,379   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
2025-08-31T09:30:18,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO
2025-08-31T09:30:18,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6
2025-08-31T09:30:18,386   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
2025-08-31T09:30:18,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8
2025-08-31T09:30:18,389   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
2025-08-31T09:30:18,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9
2025-08-31T09:30:18,393   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
2025-08-31T09:30:18,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2
2025-08-31T09:30:18,397   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
2025-08-31T09:30:18,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1
2025-08-31T09:30:18,401   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
2025-08-31T09:30:18,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10
2025-08-31T09:30:18,405   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
2025-08-31T09:30:18,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5
2025-08-31T09:30:18,409   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
2025-08-31T09:30:18,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7
2025-08-31T09:30:18,413   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
2025-08-31T09:30:18,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3
2025-08-31T09:30:18,417   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
2025-08-31T09:30:18,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4
2025-08-31T09:30:18,421   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
2025-08-31T09:30:18,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22
2025-08-31T09:30:18,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04
2025-08-31T09:30:18,428   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
2025-08-31T09:30:18,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11
2025-08-31T09:30:18,432   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
2025-08-31T09:30:18,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b
2025-08-31T09:30:18,436   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
2025-08-31T09:30:18,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a
2025-08-31T09:30:18,440   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
2025-08-31T09:30:18,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15
2025-08-31T09:30:18,444   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
2025-08-31T09:30:18,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09
2025-08-31T09:30:18,448   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
2025-08-31T09:30:18,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20
2025-08-31T09:30:18,452   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
2025-08-31T09:30:18,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b
2025-08-31T09:30:18,456   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
2025-08-31T09:30:18,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01
2025-08-31T09:30:18,460   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
2025-08-31T09:30:18,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b
2025-08-31T09:30:18,463   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
2025-08-31T09:30:18,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a
2025-08-31T09:30:18,467   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
2025-08-31T09:30:18,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06
2025-08-31T09:30:18,471   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
2025-08-31T09:30:18,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a
2025-08-31T09:30:18,475   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
2025-08-31T09:30:18,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a
2025-08-31T09:30:18,480   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
2025-08-31T09:30:18,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14
2025-08-31T09:30:18,484   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
2025-08-31T09:30:18,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b
2025-08-31T09:30:18,488   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
2025-08-31T09:30:18,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22
2025-08-31T09:30:18,492   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
2025-08-31T09:30:18,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b
2025-08-31T09:30:18,496   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
2025-08-31T09:30:18,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a
2025-08-31T09:30:18,500   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
2025-08-31T09:30:18,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b
2025-08-31T09:30:18,504   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
2025-08-31T09:30:18,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a
2025-08-31T09:30:18,508   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
2025-08-31T09:30:18,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07
2025-08-31T09:30:18,512   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
2025-08-31T09:30:18,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a
2025-08-31T09:30:18,516   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
2025-08-31T09:30:18,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a
2025-08-31T09:30:18,520   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
2025-08-31T09:30:18,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19
2025-08-31T09:30:18,524   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
2025-08-31T09:30:18,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b
2025-08-31T09:30:18,528   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
2025-08-31T09:30:18,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16
2025-08-31T09:30:18,532   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
2025-08-31T09:30:18,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b
2025-08-31T09:30:18,536   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
2025-08-31T09:30:18,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a
2025-08-31T09:30:18,539   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
2025-08-31T09:30:18,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b
2025-08-31T09:30:18,543   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
2025-08-31T09:30:18,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03
2025-08-31T09:30:18,547   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
2025-08-31T09:30:18,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05
2025-08-31T09:30:18,551   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
2025-08-31T09:30:18,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a
2025-08-31T09:30:18,555   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
2025-08-31T09:30:18,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08
2025-08-31T09:30:18,559   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
2025-08-31T09:30:18,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a
2025-08-31T09:30:18,563   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
2025-08-31T09:30:18,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a
2025-08-31T09:30:18,567   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
2025-08-31T09:30:18,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b
2025-08-31T09:30:18,571   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
2025-08-31T09:30:18,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10
2025-08-31T09:30:18,575   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
2025-08-31T09:30:18,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a
2025-08-31T09:30:18,579   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
2025-08-31T09:30:18,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a
2025-08-31T09:30:18,584   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
2025-08-31T09:30:18,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a
2025-08-31T09:30:18,588   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
2025-08-31T09:30:18,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b
2025-08-31T09:30:18,592   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
2025-08-31T09:30:18,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a
2025-08-31T09:30:18,595   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
2025-08-31T09:30:18,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12
2025-08-31T09:30:18,599   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
2025-08-31T09:30:18,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a
2025-08-31T09:30:18,603   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
2025-08-31T09:30:18,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02
2025-08-31T09:30:18,607   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
2025-08-31T09:30:18,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a
2025-08-31T09:30:18,611   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
2025-08-31T09:30:18,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13
2025-08-31T09:30:18,615   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
2025-08-31T09:30:18,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b
2025-08-31T09:30:18,619   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
2025-08-31T09:30:18,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18
2025-08-31T09:30:18,623   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
2025-08-31T09:30:18,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a
2025-08-31T09:30:18,627   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
2025-08-31T09:30:18,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a
2025-08-31T09:30:18,631   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
2025-08-31T09:30:18,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a
2025-08-31T09:30:18,636   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
2025-08-31T09:30:18,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21
2025-08-31T09:30:18,640   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
2025-08-31T09:30:18,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b
2025-08-31T09:30:18,643   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
2025-08-31T09:30:18,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17
2025-08-31T09:30:18,647   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
2025-08-31T09:30:18,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a
2025-08-31T09:30:18,651   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
2025-08-31T09:30:18,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36
2025-08-31T09:30:18,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9
2025-08-31T09:30:18,658   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
2025-08-31T09:30:18,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4
2025-08-31T09:30:18,662   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
2025-08-31T09:30:18,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9
2025-08-31T09:30:18,666   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
2025-08-31T09:30:18,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13
2025-08-31T09:30:18,670   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
2025-08-31T09:30:18,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5
2025-08-31T09:30:18,674   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
2025-08-31T09:30:18,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4
2025-08-31T09:30:18,678   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
2025-08-31T09:30:18,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7
2025-08-31T09:30:18,682   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
2025-08-31T09:30:18,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8
2025-08-31T09:30:18,686   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
2025-08-31T09:30:18,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5
2025-08-31T09:30:18,690   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
2025-08-31T09:30:18,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5
2025-08-31T09:30:18,694   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
2025-08-31T09:30:18,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11
2025-08-31T09:30:18,698   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
2025-08-31T09:30:18,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10
2025-08-31T09:30:18,702   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
2025-08-31T09:30:18,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15
2025-08-31T09:30:18,706   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
2025-08-31T09:30:18,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1
2025-08-31T09:30:18,711   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
2025-08-31T09:30:18,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14
2025-08-31T09:30:18,715   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
2025-08-31T09:30:18,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4
2025-08-31T09:30:18,719   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
2025-08-31T09:30:18,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16
2025-08-31T09:30:18,723   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
2025-08-31T09:30:18,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13
2025-08-31T09:30:18,727   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
2025-08-31T09:30:18,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6
2025-08-31T09:30:18,732   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
2025-08-31T09:30:18,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3
2025-08-31T09:30:18,736   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
2025-08-31T09:30:18,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2
2025-08-31T09:30:18,740   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
2025-08-31T09:30:18,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6
2025-08-31T09:30:18,744   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
2025-08-31T09:30:18,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12
2025-08-31T09:30:18,747   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
2025-08-31T09:30:18,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11
2025-08-31T09:30:18,751   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
2025-08-31T09:30:18,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1
2025-08-31T09:30:18,755   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
2025-08-31T09:30:18,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3
2025-08-31T09:30:18,759   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
2025-08-31T09:30:18,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3
2025-08-31T09:30:18,763   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
2025-08-31T09:30:18,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2
2025-08-31T09:30:18,767   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
2025-08-31T09:30:18,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10
2025-08-31T09:30:18,771   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
2025-08-31T09:30:18,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6
2025-08-31T09:30:18,775   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
2025-08-31T09:30:18,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12
2025-08-31T09:30:18,779   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
2025-08-31T09:30:18,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15
2025-08-31T09:30:18,783   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
2025-08-31T09:30:18,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7
2025-08-31T09:30:18,787   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
2025-08-31T09:30:18,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14
2025-08-31T09:30:18,791   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
2025-08-31T09:30:18,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8
2025-08-31T09:30:18,795   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
2025-08-31T09:30:18,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1
2025-08-31T09:30:18,800   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
2025-08-31T09:30:18,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4
2025-08-31T09:30:18,803   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
2025-08-31T09:30:18,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2
2025-08-31T09:30:18,807   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
2025-08-31T09:30:18,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66
2025-08-31T09:30:18,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04
2025-08-31T09:30:18,817   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
2025-08-31T09:30:18,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A
2025-08-31T09:30:18,821   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
2025-08-31T09:30:18,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B
2025-08-31T09:30:18,824   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
2025-08-31T09:30:18,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B
2025-08-31T09:30:18,829   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
2025-08-31T09:30:18,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23
2025-08-31T09:30:18,833   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
2025-08-31T09:30:18,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A
2025-08-31T09:30:18,836   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
2025-08-31T09:30:18,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A
2025-08-31T09:30:18,841   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
2025-08-31T09:30:18,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B
2025-08-31T09:30:18,845   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
2025-08-31T09:30:18,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B
2025-08-31T09:30:18,849   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
2025-08-31T09:30:18,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B
2025-08-31T09:30:18,853   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
2025-08-31T09:30:18,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A
2025-08-31T09:30:18,856   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
2025-08-31T09:30:18,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43
2025-08-31T09:30:18,860   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
2025-08-31T09:30:18,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48
2025-08-31T09:30:18,864   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
2025-08-31T09:30:18,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A
2025-08-31T09:30:18,868   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
2025-08-31T09:30:18,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11
2025-08-31T09:30:18,872   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
2025-08-31T09:30:18,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B
2025-08-31T09:30:18,876   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
2025-08-31T09:30:18,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B
2025-08-31T09:30:18,880   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
2025-08-31T09:30:18,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A
2025-08-31T09:30:18,884   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
2025-08-31T09:30:18,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A
2025-08-31T09:30:18,888   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
2025-08-31T09:30:18,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A
2025-08-31T09:30:18,892   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
2025-08-31T09:30:18,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B
2025-08-31T09:30:18,896   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
2025-08-31T09:30:18,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A
2025-08-31T09:30:18,900   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
2025-08-31T09:30:18,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A
2025-08-31T09:30:18,904   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
2025-08-31T09:30:18,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A
2025-08-31T09:30:18,908   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
2025-08-31T09:30:18,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B
2025-08-31T09:30:18,912   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
2025-08-31T09:30:18,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31
2025-08-31T09:30:18,916   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
2025-08-31T09:30:18,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A
2025-08-31T09:30:18,920   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
2025-08-31T09:30:18,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B
2025-08-31T09:30:18,924   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
2025-08-31T09:30:18,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A
2025-08-31T09:30:18,928   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
2025-08-31T09:30:18,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B
2025-08-31T09:30:18,932   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
2025-08-31T09:30:18,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A
2025-08-31T09:30:18,936   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
2025-08-31T09:30:18,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15
2025-08-31T09:30:18,940   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
2025-08-31T09:30:18,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B
2025-08-31T09:30:18,944   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
2025-08-31T09:30:18,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09
2025-08-31T09:30:18,948   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
2025-08-31T09:30:18,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B
2025-08-31T09:30:18,952   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
2025-08-31T09:30:18,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56
2025-08-31T09:30:18,956   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
2025-08-31T09:30:18,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B
2025-08-31T09:30:18,960   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
2025-08-31T09:30:18,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55
2025-08-31T09:30:18,963   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
2025-08-31T09:30:18,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20
2025-08-31T09:30:18,967   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
2025-08-31T09:30:18,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A
2025-08-31T09:30:18,971   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
2025-08-31T09:30:18,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A
2025-08-31T09:30:18,975   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
2025-08-31T09:30:18,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B
2025-08-31T09:30:18,979   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
2025-08-31T09:30:18,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A
2025-08-31T09:30:18,983   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
2025-08-31T09:30:18,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A
2025-08-31T09:30:18,987   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
2025-08-31T09:30:18,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A
2025-08-31T09:30:18,991   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
2025-08-31T09:30:18,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36
2025-08-31T09:30:18,995   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
2025-08-31T09:30:18,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A
2025-08-31T09:30:18,999   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
2025-08-31T09:30:19,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01
2025-08-31T09:30:19,003   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
2025-08-31T09:30:19,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B
2025-08-31T09:30:19,007   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
2025-08-31T09:30:19,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47
2025-08-31T09:30:19,010   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
2025-08-31T09:30:19,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A
2025-08-31T09:30:19,014   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
2025-08-31T09:30:19,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B
2025-08-31T09:30:19,018   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
2025-08-31T09:30:19,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64
2025-08-31T09:30:19,022   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
2025-08-31T09:30:19,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06
2025-08-31T09:30:19,026   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
2025-08-31T09:30:19,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B
2025-08-31T09:30:19,030   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
2025-08-31T09:30:19,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32
2025-08-31T09:30:19,034   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
2025-08-31T09:30:19,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B
2025-08-31T09:30:19,038   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
2025-08-31T09:30:19,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B
2025-08-31T09:30:19,042   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
2025-08-31T09:30:19,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39
2025-08-31T09:30:19,046   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
2025-08-31T09:30:19,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A
2025-08-31T09:30:19,051   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
2025-08-31T09:30:19,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A
2025-08-31T09:30:19,055   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
2025-08-31T09:30:19,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A
2025-08-31T09:30:19,059   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
2025-08-31T09:30:19,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B
2025-08-31T09:30:19,062   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
2025-08-31T09:30:19,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B
2025-08-31T09:30:19,066   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
2025-08-31T09:30:19,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B
2025-08-31T09:30:19,070   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
2025-08-31T09:30:19,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14
2025-08-31T09:30:19,074   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
2025-08-31T09:30:19,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A
2025-08-31T09:30:19,078   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
2025-08-31T09:30:19,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A
2025-08-31T09:30:19,082   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
2025-08-31T09:30:19,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A
2025-08-31T09:30:19,086   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
2025-08-31T09:30:19,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34
2025-08-31T09:30:19,090   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
2025-08-31T09:30:19,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A
2025-08-31T09:30:19,094   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
2025-08-31T09:30:19,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38
2025-08-31T09:30:19,098   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
2025-08-31T09:30:19,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B
2025-08-31T09:30:19,102   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
2025-08-31T09:30:19,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22
2025-08-31T09:30:19,105   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
2025-08-31T09:30:19,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B
2025-08-31T09:30:19,109   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
2025-08-31T09:30:19,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B
2025-08-31T09:30:19,113   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
2025-08-31T09:30:19,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59
2025-08-31T09:30:19,117   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
2025-08-31T09:30:19,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B
2025-08-31T09:30:19,121   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
2025-08-31T09:30:19,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B
2025-08-31T09:30:19,125   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
2025-08-31T09:30:19,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B
2025-08-31T09:30:19,128   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
2025-08-31T09:30:19,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51
2025-08-31T09:30:19,132   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
2025-08-31T09:30:19,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A
2025-08-31T09:30:19,136   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
2025-08-31T09:30:19,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B
2025-08-31T09:30:19,140   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
2025-08-31T09:30:19,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60
2025-08-31T09:30:19,144   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
2025-08-31T09:30:19,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B
2025-08-31T09:30:19,148   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
2025-08-31T09:30:19,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B
2025-08-31T09:30:19,153   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
2025-08-31T09:30:19,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A
2025-08-31T09:30:19,156   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
2025-08-31T09:30:19,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B
2025-08-31T09:30:19,160   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
2025-08-31T09:30:19,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A
2025-08-31T09:30:19,164   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
2025-08-31T09:30:19,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07
2025-08-31T09:30:19,168   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
2025-08-31T09:30:19,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A
2025-08-31T09:30:19,172   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
2025-08-31T09:30:19,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A
2025-08-31T09:30:19,176   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
2025-08-31T09:30:19,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29
2025-08-31T09:30:19,180   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
2025-08-31T09:30:19,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B
2025-08-31T09:30:19,184   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
2025-08-31T09:30:19,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B
2025-08-31T09:30:19,188   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
2025-08-31T09:30:19,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A
2025-08-31T09:30:19,192   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
2025-08-31T09:30:19,194   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A
2025-08-31T09:30:19,196   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
2025-08-31T09:30:19,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B
2025-08-31T09:30:19,200   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
2025-08-31T09:30:19,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A
2025-08-31T09:30:19,204   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
2025-08-31T09:30:19,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A
2025-08-31T09:30:19,207   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
2025-08-31T09:30:19,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B
2025-08-31T09:30:19,211   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
2025-08-31T09:30:19,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B
2025-08-31T09:30:19,215   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
2025-08-31T09:30:19,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B
2025-08-31T09:30:19,219   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
2025-08-31T09:30:19,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A
2025-08-31T09:30:19,223   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
2025-08-31T09:30:19,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B
2025-08-31T09:30:19,227   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
2025-08-31T09:30:19,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19
2025-08-31T09:30:19,231   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
2025-08-31T09:30:19,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A
2025-08-31T09:30:19,235   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
2025-08-31T09:30:19,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A
2025-08-31T09:30:19,239   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
2025-08-31T09:30:19,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A
2025-08-31T09:30:19,243   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
2025-08-31T09:30:19,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B
2025-08-31T09:30:19,247   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
2025-08-31T09:30:19,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B
2025-08-31T09:30:19,251   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
2025-08-31T09:30:19,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24
2025-08-31T09:30:19,255   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
2025-08-31T09:30:19,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A
2025-08-31T09:30:19,259   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
2025-08-31T09:30:19,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54
2025-08-31T09:30:19,263   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
2025-08-31T09:30:19,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33
2025-08-31T09:30:19,267   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
2025-08-31T09:30:19,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25
2025-08-31T09:30:19,270   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
2025-08-31T09:30:19,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28
2025-08-31T09:30:19,274   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
2025-08-31T09:30:19,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35
2025-08-31T09:30:19,278   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
2025-08-31T09:30:19,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B
2025-08-31T09:30:19,282   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
2025-08-31T09:30:19,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50
2025-08-31T09:30:19,286   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
2025-08-31T09:30:19,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16
2025-08-31T09:30:19,289   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
2025-08-31T09:30:19,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26
2025-08-31T09:30:19,293   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
2025-08-31T09:30:19,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A
2025-08-31T09:30:19,297   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
2025-08-31T09:30:19,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A
2025-08-31T09:30:19,301   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
2025-08-31T09:30:19,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A
2025-08-31T09:30:19,305   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
2025-08-31T09:30:19,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A
2025-08-31T09:30:19,309   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
2025-08-31T09:30:19,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B
2025-08-31T09:30:19,313   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
2025-08-31T09:30:19,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03
2025-08-31T09:30:19,317   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
2025-08-31T09:30:19,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A
2025-08-31T09:30:19,321   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
2025-08-31T09:30:19,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B
2025-08-31T09:30:19,326   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
2025-08-31T09:30:19,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05
2025-08-31T09:30:19,330   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
2025-08-31T09:30:19,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52
2025-08-31T09:30:19,334   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
2025-08-31T09:30:19,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66
2025-08-31T09:30:19,338   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
2025-08-31T09:30:19,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08
2025-08-31T09:30:19,342   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
2025-08-31T09:30:19,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B
2025-08-31T09:30:19,346   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
2025-08-31T09:30:19,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B
2025-08-31T09:30:19,350   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
2025-08-31T09:30:19,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A
2025-08-31T09:30:19,354   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
2025-08-31T09:30:19,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B
2025-08-31T09:30:19,358   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
2025-08-31T09:30:19,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A
2025-08-31T09:30:19,362   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
2025-08-31T09:30:19,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B
2025-08-31T09:30:19,366   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
2025-08-31T09:30:19,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A
2025-08-31T09:30:19,370   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
2025-08-31T09:30:19,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10
2025-08-31T09:30:19,374   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
2025-08-31T09:30:19,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65
2025-08-31T09:30:19,378   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
2025-08-31T09:30:19,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B
2025-08-31T09:30:19,382   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
2025-08-31T09:30:19,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A
2025-08-31T09:30:19,386   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
2025-08-31T09:30:19,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B
2025-08-31T09:30:19,390   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
2025-08-31T09:30:19,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A
2025-08-31T09:30:19,394   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
2025-08-31T09:30:19,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B
2025-08-31T09:30:19,398   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
2025-08-31T09:30:19,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B
2025-08-31T09:30:19,402   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
2025-08-31T09:30:19,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41
2025-08-31T09:30:19,406   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
2025-08-31T09:30:19,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B
2025-08-31T09:30:19,410   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
2025-08-31T09:30:19,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37
2025-08-31T09:30:19,414   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
2025-08-31T09:30:19,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49
2025-08-31T09:30:19,418   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
2025-08-31T09:30:19,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12
2025-08-31T09:30:19,422   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
2025-08-31T09:30:19,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A
2025-08-31T09:30:19,426   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
2025-08-31T09:30:19,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02
2025-08-31T09:30:19,430   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
2025-08-31T09:30:19,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B
2025-08-31T09:30:19,434   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
2025-08-31T09:30:19,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13
2025-08-31T09:30:19,438   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
2025-08-31T09:30:19,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B
2025-08-31T09:30:19,442   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
2025-08-31T09:30:19,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B
2025-08-31T09:30:19,446   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
2025-08-31T09:30:19,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45
2025-08-31T09:30:19,450   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
2025-08-31T09:30:19,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62
2025-08-31T09:30:19,454   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
2025-08-31T09:30:19,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18
2025-08-31T09:30:19,459   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
2025-08-31T09:30:19,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B
2025-08-31T09:30:19,462   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
2025-08-31T09:30:19,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B
2025-08-31T09:30:19,467   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
2025-08-31T09:30:19,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58
2025-08-31T09:30:19,471   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
2025-08-31T09:30:19,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B
2025-08-31T09:30:19,474   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
2025-08-31T09:30:19,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A
2025-08-31T09:30:19,479   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
2025-08-31T09:30:19,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40
2025-08-31T09:30:19,483   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
2025-08-31T09:30:19,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63
2025-08-31T09:30:19,488   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
2025-08-31T09:30:19,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61
2025-08-31T09:30:19,492   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
2025-08-31T09:30:19,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A
2025-08-31T09:30:19,497   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
2025-08-31T09:30:19,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B
2025-08-31T09:30:19,501   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
2025-08-31T09:30:19,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A
2025-08-31T09:30:19,506   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
2025-08-31T09:30:19,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B
2025-08-31T09:30:19,510   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
2025-08-31T09:30:19,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A
2025-08-31T09:30:19,514   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
2025-08-31T09:30:19,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30
2025-08-31T09:30:19,518   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
2025-08-31T09:30:19,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21
2025-08-31T09:30:19,522   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
2025-08-31T09:30:19,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B
2025-08-31T09:30:19,526   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
2025-08-31T09:30:19,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A
2025-08-31T09:30:19,531   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
2025-08-31T09:30:19,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A
2025-08-31T09:30:19,535   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
2025-08-31T09:30:19,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27
2025-08-31T09:30:19,539   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
2025-08-31T09:30:19,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53
2025-08-31T09:30:19,543   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
2025-08-31T09:30:19,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44
2025-08-31T09:30:19,547   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
2025-08-31T09:30:19,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A
2025-08-31T09:30:19,552   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
2025-08-31T09:30:19,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42
2025-08-31T09:30:19,555   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
2025-08-31T09:30:19,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46
2025-08-31T09:30:19,560   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
2025-08-31T09:30:19,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A
2025-08-31T09:30:19,564   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
2025-08-31T09:30:19,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B
2025-08-31T09:30:19,568   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
2025-08-31T09:30:19,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A
2025-08-31T09:30:19,573   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
2025-08-31T09:30:19,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A
2025-08-31T09:30:19,576   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
2025-08-31T09:30:19,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57
2025-08-31T09:30:19,581   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
2025-08-31T09:30:19,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17
2025-08-31T09:30:19,585   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
2025-08-31T09:30:19,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B
2025-08-31T09:30:19,589   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
2025-08-31T09:30:19,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A
2025-08-31T09:30:19,593   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
2025-08-31T09:30:19,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A
2025-08-31T09:30:19,597   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
2025-08-31T09:30:19,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A
2025-08-31T09:30:19,601   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
2025-08-31T09:30:19,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B
2025-08-31T09:30:19,605   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
2025-08-31T09:30:19,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13
2025-08-31T09:30:19,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:30:19,612   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
2025-08-31T09:30:19,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5
2025-08-31T09:30:19,616   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
2025-08-31T09:30:19,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3
2025-08-31T09:30:19,620   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
2025-08-31T09:30:19,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:30:19,624   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
2025-08-31T09:30:19,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:30:19,628   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
2025-08-31T09:30:19,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:30:19,632   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
2025-08-31T09:30:19,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf
2025-08-31T09:30:19,636   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
2025-08-31T09:30:19,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6
2025-08-31T09:30:19,640   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
2025-08-31T09:30:19,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6
2025-08-31T09:30:19,644   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
2025-08-31T09:30:19,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:30:19,647   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
2025-08-31T09:30:19,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3
2025-08-31T09:30:19,651   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
2025-08-31T09:30:19,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2
2025-08-31T09:30:19,655   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
2025-08-31T09:30:19,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5
2025-08-31T09:30:19,659   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
2025-08-31T09:30:19,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:30:19,663   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
2025-08-31T09:30:19,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:30:19,667   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
2025-08-31T09:30:19,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:30:19,672   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
2025-08-31T09:30:19,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4
2025-08-31T09:30:19,676   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
2025-08-31T09:30:19,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3
2025-08-31T09:30:19,679   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
2025-08-31T09:30:19,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o
2025-08-31T09:30:19,683   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
2025-08-31T09:30:19,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:30:19,687   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
2025-08-31T09:30:19,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:30:19,691   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
2025-08-31T09:30:19,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:30:19,695   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
2025-08-31T09:30:19,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2
2025-08-31T09:30:19,699   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
2025-08-31T09:30:19,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4
2025-08-31T09:30:19,703   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
2025-08-31T09:30:19,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2
2025-08-31T09:30:19,707   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
2025-08-31T09:30:19,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:30:19,711   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
2025-08-31T09:30:19,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:30:19,714   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
2025-08-31T09:30:19,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4
2025-08-31T09:30:19,718   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
2025-08-31T09:30:19,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3
2025-08-31T09:30:19,722   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
2025-08-31T09:30:19,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP
2025-08-31T09:30:19,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+
2025-08-31T09:30:19,728   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+
2025-08-31T09:30:19,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68
2025-08-31T09:30:19,732   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
2025-08-31T09:30:19,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+
2025-08-31T09:30:19,736   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+
2025-08-31T09:30:19,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43
2025-08-31T09:30:19,741   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
2025-08-31T09:30:19,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48
2025-08-31T09:30:19,744   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
2025-08-31T09:30:19,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11
2025-08-31T09:30:19,748   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
2025-08-31T09:30:19,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62
2025-08-31T09:30:19,752   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
2025-08-31T09:30:19,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n
2025-08-31T09:30:19,756   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
2025-08-31T09:30:19,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li
2025-08-31T09:30:19,760   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
2025-08-31T09:30:19,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74
2025-08-31T09:30:19,764   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
2025-08-31T09:30:19,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+
2025-08-31T09:30:19,768   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+
2025-08-31T09:30:19,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67
2025-08-31T09:30:19,771   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
2025-08-31T09:30:19,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h
2025-08-31T09:30:19,775   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
2025-08-31T09:30:19,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20
2025-08-31T09:30:19,779   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
2025-08-31T09:30:19,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71
2025-08-31T09:30:19,783   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
2025-08-31T09:30:19,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s
2025-08-31T09:30:19,786   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
2025-08-31T09:30:19,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8
2025-08-31T09:30:19,790   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
2025-08-31T09:30:19,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si
2025-08-31T09:30:19,794   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
2025-08-31T09:30:19,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na
2025-08-31T09:30:19,798   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
2025-08-31T09:30:19,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg
2025-08-31T09:30:19,802   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
2025-08-31T09:30:19,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+
2025-08-31T09:30:19,805   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+
2025-08-31T09:30:19,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60
2025-08-31T09:30:19,810   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
2025-08-31T09:30:19,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14
2025-08-31T09:30:19,813   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
2025-08-31T09:30:19,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73
2025-08-31T09:30:19,820   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
2025-08-31T09:30:19,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34
2025-08-31T09:30:19,824   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
2025-08-31T09:30:19,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o
2025-08-31T09:30:19,828   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
2025-08-31T09:30:19,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22
2025-08-31T09:30:19,831   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
2025-08-31T09:30:19,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59
2025-08-31T09:30:19,835   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
2025-08-31T09:30:19,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+
2025-08-31T09:30:19,839   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+
2025-08-31T09:30:19,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51
2025-08-31T09:30:19,843   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
2025-08-31T09:30:19,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78
2025-08-31T09:30:19,847   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
2025-08-31T09:30:19,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75
2025-08-31T09:30:19,851   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
2025-08-31T09:30:19,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+
2025-08-31T09:30:19,855   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+
2025-08-31T09:30:19,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be
2025-08-31T09:30:19,859   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
2025-08-31T09:30:19,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+
2025-08-31T09:30:19,862   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+
2025-08-31T09:30:19,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65
2025-08-31T09:30:19,866   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
2025-08-31T09:30:19,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p
2025-08-31T09:30:19,870   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
2025-08-31T09:30:19,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66
2025-08-31T09:30:19,874   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
2025-08-31T09:30:19,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c
2025-08-31T09:30:19,877   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
2025-08-31T09:30:19,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19
2025-08-31T09:30:19,881   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
2025-08-31T09:30:19,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b
2025-08-31T09:30:19,885   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
2025-08-31T09:30:19,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25
2025-08-31T09:30:19,889   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
2025-08-31T09:30:19,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+
2025-08-31T09:30:19,893   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+
2025-08-31T09:30:19,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76
2025-08-31T09:30:19,896   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
2025-08-31T09:30:19,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26
2025-08-31T09:30:19,900   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
2025-08-31T09:30:19,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl
2025-08-31T09:30:19,904   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
2025-08-31T09:30:19,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f
2025-08-31T09:30:19,908   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
2025-08-31T09:30:19,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64
2025-08-31T09:30:19,912   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
2025-08-31T09:30:19,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+
2025-08-31T09:30:19,916   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+
2025-08-31T09:30:19,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80
2025-08-31T09:30:19,919   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
2025-08-31T09:30:19,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137
2025-08-31T09:30:19,923   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
2025-08-31T09:30:19,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79
2025-08-31T09:30:19,926   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
2025-08-31T09:30:19,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+
2025-08-31T09:30:19,930   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+
2025-08-31T09:30:19,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+
2025-08-31T09:30:19,934   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+
2025-08-31T09:30:19,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61
2025-08-31T09:30:19,938   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
2025-08-31T09:30:19,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+
2025-08-31T09:30:19,941   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+
2025-08-31T09:30:19,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37
2025-08-31T09:30:19,945   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
2025-08-31T09:30:19,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12
2025-08-31T09:30:19,949   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
2025-08-31T09:30:19,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13
2025-08-31T09:30:19,953   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
2025-08-31T09:30:19,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+
2025-08-31T09:30:19,957   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+
2025-08-31T09:30:19,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45
2025-08-31T09:30:19,960   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
2025-08-31T09:30:19,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al
2025-08-31T09:30:19,964   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
2025-08-31T09:30:19,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77
2025-08-31T09:30:19,967   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
2025-08-31T09:30:19,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18
2025-08-31T09:30:19,971   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
2025-08-31T09:30:19,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72
2025-08-31T09:30:19,975   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
2025-08-31T09:30:19,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70
2025-08-31T09:30:19,978   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
2025-08-31T09:30:19,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63
2025-08-31T09:30:19,982   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
2025-08-31T09:30:19,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30
2025-08-31T09:30:19,986   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
2025-08-31T09:30:19,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65
2025-08-31T09:30:19,990   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
2025-08-31T09:30:19,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44
2025-08-31T09:30:19,994   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
2025-08-31T09:30:19,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+
2025-08-31T09:30:19,998   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+
2025-08-31T09:30:20,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF
2025-08-31T09:30:20,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7
2025-08-31T09:30:20,005   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
2025-08-31T09:30:20,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2
2025-08-31T09:30:20,009   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
2025-08-31T09:30:20,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1
2025-08-31T09:30:20,012   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
2025-08-31T09:30:20,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11
2025-08-31T09:30:20,016   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
2025-08-31T09:30:20,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4
2025-08-31T09:30:20,020   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
2025-08-31T09:30:20,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10
2025-08-31T09:30:20,024   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
2025-08-31T09:30:20,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3
2025-08-31T09:30:20,028   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
2025-08-31T09:30:20,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4
2025-08-31T09:30:20,032   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
2025-08-31T09:30:20,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15
2025-08-31T09:30:20,035   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
2025-08-31T09:30:20,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6
2025-08-31T09:30:20,039   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
2025-08-31T09:30:20,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1
2025-08-31T09:30:20,043   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
2025-08-31T09:30:20,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8
2025-08-31T09:30:20,047   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
2025-08-31T09:30:20,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12
2025-08-31T09:30:20,051   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
2025-08-31T09:30:20,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14
2025-08-31T09:30:20,055   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
2025-08-31T09:30:20,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13
2025-08-31T09:30:20,058   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
2025-08-31T09:30:20,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9
2025-08-31T09:30:20,062   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
2025-08-31T09:30:20,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3
2025-08-31T09:30:20,066   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
2025-08-31T09:30:20,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5
2025-08-31T09:30:20,070   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
2025-08-31T09:30:20,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2
2025-08-31T09:30:20,073   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
2025-08-31T09:30:20,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel
2025-08-31T09:30:20,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42
2025-08-31T09:30:20,079   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
2025-08-31T09:30:20,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:30:20,083   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
2025-08-31T09:30:20,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1
2025-08-31T09:30:20,087   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
2025-08-31T09:30:20,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0
2025-08-31T09:30:20,091   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
2025-08-31T09:30:20,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0
2025-08-31T09:30:20,095   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
2025-08-31T09:30:20,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42
2025-08-31T09:30:20,099   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
2025-08-31T09:30:20,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2
2025-08-31T09:30:20,103   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
2025-08-31T09:30:20,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71
2025-08-31T09:30:20,107   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
2025-08-31T09:30:20,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41
2025-08-31T09:30:20,111   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
2025-08-31T09:30:20,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:30:20,115   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
2025-08-31T09:30:20,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2
2025-08-31T09:30:20,119   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
2025-08-31T09:30:20,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0
2025-08-31T09:30:20,123   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
2025-08-31T09:30:20,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72
2025-08-31T09:30:20,127   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
2025-08-31T09:30:20,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43
2025-08-31T09:30:20,130   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
2025-08-31T09:30:20,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71
2025-08-31T09:30:20,135   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
2025-08-31T09:30:20,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:30:20,138   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
2025-08-31T09:30:20,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0
2025-08-31T09:30:20,142   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
2025-08-31T09:30:20,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1
2025-08-31T09:30:20,146   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
2025-08-31T09:30:20,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72
2025-08-31T09:30:20,150   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
2025-08-31T09:30:20,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2
2025-08-31T09:30:20,154   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
2025-08-31T09:30:20,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4
2025-08-31T09:30:20,157   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
2025-08-31T09:30:20,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2
2025-08-31T09:30:20,161   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
2025-08-31T09:30:20,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41
2025-08-31T09:30:20,165   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
2025-08-31T09:30:20,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3
2025-08-31T09:30:20,169   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
2025-08-31T09:30:20,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3
2025-08-31T09:30:20,173   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
2025-08-31T09:30:20,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2
2025-08-31T09:30:20,177   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
2025-08-31T09:30:20,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41
2025-08-31T09:30:20,181   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
2025-08-31T09:30:20,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1
2025-08-31T09:30:20,185   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
2025-08-31T09:30:20,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0
2025-08-31T09:30:20,189   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
2025-08-31T09:30:20,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3
2025-08-31T09:30:20,193   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
2025-08-31T09:30:20,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42
2025-08-31T09:30:20,197   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
2025-08-31T09:30:20,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6
2025-08-31T09:30:20,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2
2025-08-31T09:30:20,203   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
2025-08-31T09:30:20,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4
2025-08-31T09:30:20,207   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
2025-08-31T09:30:20,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5
2025-08-31T09:30:20,210   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
2025-08-31T09:30:20,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6
2025-08-31T09:30:20,214   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
2025-08-31T09:30:20,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2
2025-08-31T09:30:20,218   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
2025-08-31T09:30:20,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5
2025-08-31T09:30:20,222   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
2025-08-31T09:30:20,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7
2025-08-31T09:30:20,226   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
2025-08-31T09:30:20,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7
2025-08-31T09:30:20,230   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
2025-08-31T09:30:20,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3
2025-08-31T09:30:20,234   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
2025-08-31T09:30:20,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6
2025-08-31T09:30:20,238   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
2025-08-31T09:30:20,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3
2025-08-31T09:30:20,242   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
2025-08-31T09:30:20,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4
2025-08-31T09:30:20,246   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
2025-08-31T09:30:20,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21
2025-08-31T09:30:20,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470
2025-08-31T09:30:20,253   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
2025-08-31T09:30:20,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691
2025-08-31T09:30:20,257   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
2025-08-31T09:30:20,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:30:20,261   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
2025-08-31T09:30:20,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224
2025-08-31T09:30:20,265   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
2025-08-31T09:30:20,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:30:20,269   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
2025-08-31T09:30:20,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366
2025-08-31T09:30:20,273   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
2025-08-31T09:30:20,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300
2025-08-31T09:30:20,277   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
2025-08-31T09:30:20,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:30:20,281   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
2025-08-31T09:30:20,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:30:20,285   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
2025-08-31T09:30:20,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412
2025-08-31T09:30:20,289   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
2025-08-31T09:30:20,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99
2025-08-31T09:30:20,293   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
2025-08-31T09:30:20,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:30:20,298   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
2025-08-31T09:30:20,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357
2025-08-31T09:30:20,302   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
2025-08-31T09:30:20,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b
2025-08-31T09:30:20,306   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
2025-08-31T09:30:20,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:30:20,310   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
2025-08-31T09:30:20,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114
2025-08-31T09:30:20,314   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
2025-08-31T09:30:20,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:30:20,317   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
2025-08-31T09:30:20,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444
2025-08-31T09:30:20,321   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
2025-08-31T09:30:20,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:30:20,325   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
2025-08-31T09:30:20,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:30:20,329   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
2025-08-31T09:30:20,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215
2025-08-31T09:30:20,333   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
2025-08-31T09:30:20,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10
2025-08-31T09:30:20,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:30:20,339   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+
2025-08-31T09:30:20,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:30:20,343   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+
2025-08-31T09:30:20,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:30:20,347   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+
2025-08-31T09:30:20,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:30:20,351   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+
2025-08-31T09:30:20,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:30:20,355   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+
2025-08-31T09:30:20,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:30:20,359   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+
2025-08-31T09:30:20,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:30:20,363   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+
2025-08-31T09:30:20,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:30:20,366   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+
2025-08-31T09:30:20,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg
2025-08-31T09:30:20,370   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
2025-08-31T09:30:20,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:30:20,374   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+
2025-08-31T09:30:20,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:30:20,378   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
2025-08-31T09:30:20,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be
2025-08-31T09:30:20,382   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
2025-08-31T09:30:20,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:30:20,385   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+
2025-08-31T09:30:20,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:30:20,390   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
2025-08-31T09:30:20,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s
2025-08-31T09:30:20,394   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
2025-08-31T09:30:20,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3
2025-08-31T09:30:20,398   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
2025-08-31T09:30:20,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:30:20,401   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
2025-08-31T09:30:20,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:30:20,405   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
2025-08-31T09:30:20,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:30:20,409   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
2025-08-31T09:30:20,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3
2025-08-31T09:30:20,413   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
2025-08-31T09:30:20,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11
2025-08-31T09:30:20,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn
2025-08-31T09:30:20,422   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
2025-08-31T09:30:20,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn
2025-08-31T09:30:20,426   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
2025-08-31T09:30:20,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f
2025-08-31T09:30:20,430   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
2025-08-31T09:30:20,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf
2025-08-31T09:30:20,434   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
2025-08-31T09:30:20,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo
2025-08-31T09:30:20,438   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
2025-08-31T09:30:20,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2
2025-08-31T09:30:20,444   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
2025-08-31T09:30:20,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3
2025-08-31T09:30:20,452   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
2025-08-31T09:30:20,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn
2025-08-31T09:30:20,458   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
2025-08-31T09:30:20,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf
2025-08-31T09:30:20,462   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
2025-08-31T09:30:20,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2
2025-08-31T09:30:20,466   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
2025-08-31T09:30:20,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo
2025-08-31T09:30:20,470   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
2025-08-31T09:30:20,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:30:20,474   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
2025-08-31T09:30:20,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf
2025-08-31T09:30:20,478   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
2025-08-31T09:30:20,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o
2025-08-31T09:30:20,482   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
2025-08-31T09:30:20,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:30:20,486   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
2025-08-31T09:30:20,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n
2025-08-31T09:30:20,490   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
2025-08-31T09:30:20,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2
2025-08-31T09:30:20,494   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
2025-08-31T09:30:20,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:30:20,498   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
2025-08-31T09:30:20,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco
2025-08-31T09:30:20,502   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
2025-08-31T09:30:20,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh
2025-08-31T09:30:20,505   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
2025-08-31T09:30:20,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc
2025-08-31T09:30:20,509   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
2025-08-31T09:30:20,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi
2025-08-31T09:30:20,513   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
2025-08-31T09:30:20,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2
2025-08-31T09:30:20,517   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
2025-08-31T09:30:20,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4
2025-08-31T09:30:20,521   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
2025-08-31T09:30:20,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio
2025-08-31T09:30:20,525   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
2025-08-31T09:30:20,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o
2025-08-31T09:30:20,529   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
2025-08-31T09:30:20,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:30:20,533   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
2025-08-31T09:30:20,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs
2025-08-31T09:30:20,537   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
2025-08-31T09:30:20,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h
2025-08-31T09:30:20,541   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
2025-08-31T09:30:20,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene
2025-08-31T09:30:20,544   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
2025-08-31T09:30:20,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo
2025-08-31T09:30:20,549   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
2025-08-31T09:30:20,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne
2025-08-31T09:30:20,553   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
2025-08-31T09:30:20,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn
2025-08-31T09:30:20,556   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
2025-08-31T09:30:20,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:30:20,560   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
2025-08-31T09:30:20,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s
2025-08-31T09:30:20,564   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
2025-08-31T09:30:20,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si
2025-08-31T09:30:20,568   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
2025-08-31T09:30:20,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh
2025-08-31T09:30:20,572   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
2025-08-31T09:30:20,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc
2025-08-31T09:30:20,575   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
2025-08-31T09:30:20,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3
2025-08-31T09:30:20,579   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
2025-08-31T09:30:20,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs
2025-08-31T09:30:20,583   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
2025-08-31T09:30:20,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf
2025-08-31T09:30:20,587   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
2025-08-31T09:30:20,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo
2025-08-31T09:30:20,590   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
2025-08-31T09:30:20,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco
2025-08-31T09:30:20,594   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
2025-08-31T09:30:20,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf
2025-08-31T09:30:20,598   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
2025-08-31T09:30:20,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2
2025-08-31T09:30:20,602   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
2025-08-31T09:30:20,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic
2025-08-31T09:30:20,606   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
2025-08-31T09:30:20,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh
2025-08-31T09:30:20,610   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
2025-08-31T09:30:20,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co
2025-08-31T09:30:20,614   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
2025-08-31T09:30:20,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o
2025-08-31T09:30:20,618   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
2025-08-31T09:30:20,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh
2025-08-31T09:30:20,622   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
2025-08-31T09:30:20,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4
2025-08-31T09:30:20,626   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
2025-08-31T09:30:20,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2
2025-08-31T09:30:20,630   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
2025-08-31T09:30:20,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf
2025-08-31T09:30:20,633   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
2025-08-31T09:30:20,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4
2025-08-31T09:30:20,637   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
2025-08-31T09:30:20,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh
2025-08-31T09:30:20,642   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
2025-08-31T09:30:20,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh
2025-08-31T09:30:20,646   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
2025-08-31T09:30:20,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf
2025-08-31T09:30:20,650   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
2025-08-31T09:30:20,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2
2025-08-31T09:30:20,654   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
2025-08-31T09:30:20,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch
2025-08-31T09:30:20,657   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
2025-08-31T09:30:20,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so
2025-08-31T09:30:20,661   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
2025-08-31T09:30:20,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof
2025-08-31T09:30:20,665   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
2025-08-31T09:30:20,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3
2025-08-31T09:30:20,669   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
2025-08-31T09:30:20,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3
2025-08-31T09:30:20,673   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
2025-08-31T09:30:20,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h
2025-08-31T09:30:20,677   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
2025-08-31T09:30:20,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6
2025-08-31T09:30:20,682   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
2025-08-31T09:30:20,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2
2025-08-31T09:30:20,686   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
2025-08-31T09:30:20,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be
2025-08-31T09:30:20,690   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
2025-08-31T09:30:20,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof
2025-08-31T09:30:20,694   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
2025-08-31T09:30:20,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o
2025-08-31T09:30:20,698   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
2025-08-31T09:30:20,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo
2025-08-31T09:30:20,702   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
2025-08-31T09:30:20,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3
2025-08-31T09:30:20,706   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
2025-08-31T09:30:20,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p
2025-08-31T09:30:20,710   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
2025-08-31T09:30:20,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic
2025-08-31T09:30:20,713   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
2025-08-31T09:30:20,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif
2025-08-31T09:30:20,717   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
2025-08-31T09:30:20,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c
2025-08-31T09:30:20,721   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
2025-08-31T09:30:20,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2
2025-08-31T09:30:20,725   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
2025-08-31T09:30:20,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f
2025-08-31T09:30:20,729   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
2025-08-31T09:30:20,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene
2025-08-31T09:30:20,732   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
2025-08-31T09:30:20,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol
2025-08-31T09:30:20,736   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
2025-08-31T09:30:20,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3
2025-08-31T09:30:20,740   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
2025-08-31T09:30:20,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:30:20,744   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
2025-08-31T09:30:20,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b
2025-08-31T09:30:20,748   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
2025-08-31T09:30:20,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof
2025-08-31T09:30:20,752   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
2025-08-31T09:30:20,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono
2025-08-31T09:30:20,755   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
2025-08-31T09:30:20,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:30:20,759   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
2025-08-31T09:30:20,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2
2025-08-31T09:30:20,762   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
2025-08-31T09:30:20,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl
2025-08-31T09:30:20,767   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
2025-08-31T09:30:20,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f
2025-08-31T09:30:20,770   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
2025-08-31T09:30:20,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o
2025-08-31T09:30:20,774   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
2025-08-31T09:30:20,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2
2025-08-31T09:30:20,779   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
2025-08-31T09:30:20,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn
2025-08-31T09:30:20,783   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
2025-08-31T09:30:20,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4
2025-08-31T09:30:20,786   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
2025-08-31T09:30:20,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f
2025-08-31T09:30:20,790   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
2025-08-31T09:30:20,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene
2025-08-31T09:30:20,795   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
2025-08-31T09:30:20,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4
2025-08-31T09:30:20,799   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
2025-08-31T09:30:20,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2
2025-08-31T09:30:20,802   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
2025-08-31T09:30:20,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2
2025-08-31T09:30:20,806   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
2025-08-31T09:30:20,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:30:20,810   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
2025-08-31T09:30:20,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl
2025-08-31T09:30:20,814   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
2025-08-31T09:30:20,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo
2025-08-31T09:30:20,818   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
2025-08-31T09:30:20,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2
2025-08-31T09:30:20,822   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
2025-08-31T09:30:20,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2
2025-08-31T09:30:20,826   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
2025-08-31T09:30:20,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:30:20,830   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
2025-08-31T09:30:20,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh
2025-08-31T09:30:20,834   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
2025-08-31T09:30:20,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2
2025-08-31T09:30:20,838   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
2025-08-31T09:30:20,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh
2025-08-31T09:30:20,842   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
2025-08-31T09:30:20,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl
2025-08-31T09:30:20,845   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
2025-08-31T09:30:20,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s
2025-08-31T09:30:20,849   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
2025-08-31T09:30:20,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3
2025-08-31T09:30:20,853   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
2025-08-31T09:30:20,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch
2025-08-31T09:30:20,856   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
2025-08-31T09:30:20,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl
2025-08-31T09:30:20,861   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
2025-08-31T09:30:20,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane
2025-08-31T09:30:20,864   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
2025-08-31T09:30:20,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch
2025-08-31T09:30:20,868   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
2025-08-31T09:30:20,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs
2025-08-31T09:30:20,872   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
2025-08-31T09:30:20,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6
2025-08-31T09:30:20,876   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
2025-08-31T09:30:20,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn
2025-08-31T09:30:20,880   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
2025-08-31T09:30:20,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2
2025-08-31T09:30:20,884   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
2025-08-31T09:30:20,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3
2025-08-31T09:30:20,888   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
2025-08-31T09:30:20,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2
2025-08-31T09:30:20,892   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
2025-08-31T09:30:20,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih
2025-08-31T09:30:20,895   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
2025-08-31T09:30:20,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co
2025-08-31T09:30:20,899   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
2025-08-31T09:30:20,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6
2025-08-31T09:30:20,902   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
2025-08-31T09:30:20,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al
2025-08-31T09:30:20,906   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
2025-08-31T09:30:20,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2
2025-08-31T09:30:20,910   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
2025-08-31T09:30:20,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3
2025-08-31T09:30:20,914   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
2025-08-31T09:30:20,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4
2025-08-31T09:30:20,917   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
2025-08-31T09:30:20,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2
2025-08-31T09:30:20,922   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
2025-08-31T09:30:20,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4
2025-08-31T09:30:20,926   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
2025-08-31T09:30:20,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn
2025-08-31T09:30:20,930   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
2025-08-31T09:30:20,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono
2025-08-31T09:30:20,934   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
2025-08-31T09:30:20,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no
2025-08-31T09:30:20,938   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
2025-08-31T09:30:20,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3
2025-08-31T09:30:20,942   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
2025-08-31T09:30:20,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:30:20,946   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
2025-08-31T09:30:20,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of
2025-08-31T09:30:20,950   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
2025-08-31T09:30:20,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o
2025-08-31T09:30:20,954   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
2025-08-31T09:30:20,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh
2025-08-31T09:30:20,958   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
2025-08-31T09:30:20,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2
2025-08-31T09:30:20,961   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
2025-08-31T09:30:20,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co
2025-08-31T09:30:20,965   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
2025-08-31T09:30:20,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane
2025-08-31T09:30:20,969   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
2025-08-31T09:30:20,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f
2025-08-31T09:30:20,973   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
2025-08-31T09:30:20,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal
2025-08-31T09:30:20,977   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
2025-08-31T09:30:20,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl
2025-08-31T09:30:20,981   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
2025-08-31T09:30:20,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno
2025-08-31T09:30:20,984   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
2025-08-31T09:30:20,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn
2025-08-31T09:30:20,988   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
2025-08-31T09:30:20,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2
2025-08-31T09:30:20,992   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
2025-08-31T09:30:20,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol
2025-08-31T09:30:20,995   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
2025-08-31T09:30:20,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene
2025-08-31T09:30:20,999   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
2025-08-31T09:30:21,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3
2025-08-31T09:30:21,003   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
2025-08-31T09:30:21,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane
2025-08-31T09:30:21,006   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
2025-08-31T09:30:21,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c
2025-08-31T09:30:21,010   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
2025-08-31T09:30:21,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2
2025-08-31T09:30:21,014   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
2025-08-31T09:30:21,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno
2025-08-31T09:30:21,018   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
2025-08-31T09:30:21,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15
2025-08-31T09:30:21,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c
2025-08-31T09:30:21,024   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
2025-08-31T09:30:21,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c
2025-08-31T09:30:21,027   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
2025-08-31T09:30:21,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c
2025-08-31T09:30:21,031   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
2025-08-31T09:30:21,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a
2025-08-31T09:30:21,035   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
2025-08-31T09:30:21,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b
2025-08-31T09:30:21,039   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
2025-08-31T09:30:21,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a
2025-08-31T09:30:21,043   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
2025-08-31T09:30:21,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b
2025-08-31T09:30:21,046   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
2025-08-31T09:30:21,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a
2025-08-31T09:30:21,050   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
2025-08-31T09:30:21,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a
2025-08-31T09:30:21,053   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
2025-08-31T09:30:21,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b
2025-08-31T09:30:21,057   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
2025-08-31T09:30:21,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d
2025-08-31T09:30:21,061   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
2025-08-31T09:30:21,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b
2025-08-31T09:30:21,065   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
2025-08-31T09:30:21,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a
2025-08-31T09:30:21,069   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
2025-08-31T09:30:21,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b
2025-08-31T09:30:21,072   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
2025-08-31T09:30:21,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a
2025-08-31T09:30:21,076   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
2025-08-31T09:30:21,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b
2025-08-31T09:30:21,080   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
2025-08-31T09:30:21,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b
2025-08-31T09:30:21,084   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
2025-08-31T09:30:21,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b
2025-08-31T09:30:21,088   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
2025-08-31T09:30:21,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a
2025-08-31T09:30:21,092   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
2025-08-31T09:30:21,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a
2025-08-31T09:30:21,096   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
2025-08-31T09:30:21,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a
2025-08-31T09:30:21,100   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
2025-08-31T09:30:21,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b
2025-08-31T09:30:21,103   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
2025-08-31T09:30:21,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a
2025-08-31T09:30:21,107   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
2025-08-31T09:30:21,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d
2025-08-31T09:30:21,111   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
2025-08-31T09:30:21,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b
2025-08-31T09:30:21,115   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
2025-08-31T09:30:21,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43
2025-08-31T09:30:21,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04
2025-08-31T09:30:21,122   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
2025-08-31T09:30:21,125   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23
2025-08-31T09:30:21,126   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
2025-08-31T09:30:21,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43
2025-08-31T09:30:21,130   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
2025-08-31T09:30:21,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11
2025-08-31T09:30:21,134   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
2025-08-31T09:30:21,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4
2025-08-31T09:30:21,138   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
2025-08-31T09:30:21,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2
2025-08-31T09:30:21,142   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
2025-08-31T09:30:21,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31
2025-08-31T09:30:21,145   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
2025-08-31T09:30:21,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15
2025-08-31T09:30:21,149   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
2025-08-31T09:30:21,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09
2025-08-31T09:30:21,153   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
2025-08-31T09:30:21,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20
2025-08-31T09:30:21,157   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
2025-08-31T09:30:21,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36
2025-08-31T09:30:21,161   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
2025-08-31T09:30:21,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01
2025-08-31T09:30:21,165   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
2025-08-31T09:30:21,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06
2025-08-31T09:30:21,169   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
2025-08-31T09:30:21,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32
2025-08-31T09:30:21,173   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
2025-08-31T09:30:21,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39
2025-08-31T09:30:21,177   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
2025-08-31T09:30:21,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4
2025-08-31T09:30:21,181   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
2025-08-31T09:30:21,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2
2025-08-31T09:30:21,184   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
2025-08-31T09:30:21,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2
2025-08-31T09:30:21,188   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
2025-08-31T09:30:21,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14
2025-08-31T09:30:21,192   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
2025-08-31T09:30:21,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2
2025-08-31T09:30:21,196   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
2025-08-31T09:30:21,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34
2025-08-31T09:30:21,200   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
2025-08-31T09:30:21,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH
2025-08-31T09:30:21,204   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
2025-08-31T09:30:21,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38
2025-08-31T09:30:21,207   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
2025-08-31T09:30:21,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22
2025-08-31T09:30:21,211   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
2025-08-31T09:30:21,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2
2025-08-31T09:30:21,215   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
2025-08-31T09:30:21,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2
2025-08-31T09:30:21,219   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
2025-08-31T09:30:21,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH
2025-08-31T09:30:21,223   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
2025-08-31T09:30:21,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07
2025-08-31T09:30:21,227   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
2025-08-31T09:30:21,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2
2025-08-31T09:30:21,231   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
2025-08-31T09:30:21,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29
2025-08-31T09:30:21,235   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
2025-08-31T09:30:21,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19
2025-08-31T09:30:21,239   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
2025-08-31T09:30:21,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24
2025-08-31T09:30:21,243   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
2025-08-31T09:30:21,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33
2025-08-31T09:30:21,247   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
2025-08-31T09:30:21,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25
2025-08-31T09:30:21,251   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
2025-08-31T09:30:21,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28
2025-08-31T09:30:21,255   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
2025-08-31T09:30:21,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35
2025-08-31T09:30:21,259   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
2025-08-31T09:30:21,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16
2025-08-31T09:30:21,263   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
2025-08-31T09:30:21,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26
2025-08-31T09:30:21,267   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
2025-08-31T09:30:21,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03
2025-08-31T09:30:21,271   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
2025-08-31T09:30:21,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05
2025-08-31T09:30:21,275   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
2025-08-31T09:30:21,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2
2025-08-31T09:30:21,280   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
2025-08-31T09:30:21,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08
2025-08-31T09:30:21,283   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
2025-08-31T09:30:21,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10
2025-08-31T09:30:21,287   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
2025-08-31T09:30:21,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41
2025-08-31T09:30:21,291   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
2025-08-31T09:30:21,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3
2025-08-31T09:30:21,295   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
2025-08-31T09:30:21,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37
2025-08-31T09:30:21,299   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
2025-08-31T09:30:21,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12
2025-08-31T09:30:21,303   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
2025-08-31T09:30:21,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02
2025-08-31T09:30:21,307   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
2025-08-31T09:30:21,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13
2025-08-31T09:30:21,311   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
2025-08-31T09:30:21,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18
2025-08-31T09:30:21,315   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
2025-08-31T09:30:21,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40
2025-08-31T09:30:21,319   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
2025-08-31T09:30:21,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2
2025-08-31T09:30:21,323   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
2025-08-31T09:30:21,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30
2025-08-31T09:30:21,327   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
2025-08-31T09:30:21,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21
2025-08-31T09:30:21,332   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
2025-08-31T09:30:21,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27
2025-08-31T09:30:21,336   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
2025-08-31T09:30:21,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3
2025-08-31T09:30:21,340   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
2025-08-31T09:30:21,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42
2025-08-31T09:30:21,343   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
2025-08-31T09:30:21,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17
2025-08-31T09:30:21,347   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
2025-08-31T09:30:21,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC
2025-08-31T09:30:21,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:30:21,354   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
2025-08-31T09:30:21,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:30:21,358   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
2025-08-31T09:30:21,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02
2025-08-31T09:30:21,362   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
2025-08-31T09:30:21,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:30:21,366   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
2025-08-31T09:30:21,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o
2025-08-31T09:30:21,370   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
2025-08-31T09:30:21,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2
2025-08-31T09:30:21,376   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
2025-08-31T09:30:21,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05
2025-08-31T09:30:21,383   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
2025-08-31T09:30:21,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08
2025-08-31T09:30:21,392   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
2025-08-31T09:30:21,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18
2025-08-31T09:30:21,398   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
2025-08-31T09:30:21,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h
2025-08-31T09:30:21,403   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
2025-08-31T09:30:21,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:30:21,408   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
2025-08-31T09:30:21,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06
2025-08-31T09:30:21,415   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
2025-08-31T09:30:21,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2
2025-08-31T09:30:21,421   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
2025-08-31T09:30:21,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:30:21,426   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
2025-08-31T09:30:21,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5
2025-08-31T09:30:21,430   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
2025-08-31T09:30:21,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15
2025-08-31T09:30:21,435   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
2025-08-31T09:30:21,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:30:21,439   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
2025-08-31T09:30:21,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:30:21,443   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
2025-08-31T09:30:21,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc
2025-08-31T09:30:21,447   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
2025-08-31T09:30:21,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf
2025-08-31T09:30:21,451   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
2025-08-31T09:30:21,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:30:21,455   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
2025-08-31T09:30:21,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco
2025-08-31T09:30:21,459   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
2025-08-31T09:30:21,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4
2025-08-31T09:30:21,463   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
2025-08-31T09:30:21,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14
2025-08-31T09:30:21,467   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
2025-08-31T09:30:21,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh
2025-08-31T09:30:21,471   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
2025-08-31T09:30:21,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13
2025-08-31T09:30:21,475   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
2025-08-31T09:30:21,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:30:21,479   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
2025-08-31T09:30:21,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09
2025-08-31T09:30:21,483   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
2025-08-31T09:30:21,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf
2025-08-31T09:30:21,487   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
2025-08-31T09:30:21,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2
2025-08-31T09:30:21,491   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
2025-08-31T09:30:21,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2
2025-08-31T09:30:21,496   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
2025-08-31T09:30:21,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07
2025-08-31T09:30:21,500   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
2025-08-31T09:30:21,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8
2025-08-31T09:30:21,504   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
2025-08-31T09:30:21,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:30:21,508   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
2025-08-31T09:30:21,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10
2025-08-31T09:30:21,512   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
2025-08-31T09:30:21,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:30:21,516   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
2025-08-31T09:30:21,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:30:21,520   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
2025-08-31T09:30:21,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:30:21,524   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
2025-08-31T09:30:21,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts
2025-08-31T09:30:21,528   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
2025-08-31T09:30:21,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2
2025-08-31T09:30:21,532   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
2025-08-31T09:30:21,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl
2025-08-31T09:30:21,536   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
2025-08-31T09:30:21,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f
2025-08-31T09:30:21,540   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
2025-08-31T09:30:21,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19
2025-08-31T09:30:21,544   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
2025-08-31T09:30:21,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:30:21,548   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
2025-08-31T09:30:21,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03
2025-08-31T09:30:21,552   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
2025-08-31T09:30:21,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:30:21,556   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
2025-08-31T09:30:21,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3
2025-08-31T09:30:21,559   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
2025-08-31T09:30:21,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16
2025-08-31T09:30:21,564   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
2025-08-31T09:30:21,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3
2025-08-31T09:30:21,568   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
2025-08-31T09:30:21,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12
2025-08-31T09:30:21,573   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
2025-08-31T09:30:21,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6
2025-08-31T09:30:21,662   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
2025-08-31T09:30:21,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:30:21,668   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
2025-08-31T09:30:21,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S
2025-08-31T09:30:21,674   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
2025-08-31T09:30:21,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01
2025-08-31T09:30:21,680   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
2025-08-31T09:30:21,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O
2025-08-31T09:30:21,684   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
2025-08-31T09:30:21,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04
2025-08-31T09:30:21,688   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
2025-08-31T09:30:21,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20
2025-08-31T09:30:21,692   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
2025-08-31T09:30:21,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts
2025-08-31T09:30:21,696   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
2025-08-31T09:30:21,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7
2025-08-31T09:30:21,700   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
2025-08-31T09:30:21,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H
2025-08-31T09:30:21,704   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
2025-08-31T09:30:21,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-
2025-08-31T09:30:21,707   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-
2025-08-31T09:30:21,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS
2025-08-31T09:30:21,712   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
2025-08-31T09:30:21,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3
2025-08-31T09:30:21,715   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
2025-08-31T09:30:21,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-
2025-08-31T09:30:21,719   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-
2025-08-31T09:30:21,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4
2025-08-31T09:30:21,723   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
2025-08-31T09:30:21,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2
2025-08-31T09:30:21,727   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
2025-08-31T09:30:21,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22
2025-08-31T09:30:21,731   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
2025-08-31T09:30:21,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5
2025-08-31T09:30:21,735   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
2025-08-31T09:30:21,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:30:21,742   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
2025-08-31T09:30:21,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:30:21,746   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
2025-08-31T09:30:21,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH
2025-08-31T09:30:21,750   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
2025-08-31T09:30:21,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:30:21,754   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
2025-08-31T09:30:21,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co
2025-08-31T09:30:21,758   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
2025-08-31T09:30:21,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:30:21,762   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
2025-08-31T09:30:21,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts
2025-08-31T09:30:21,766   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
2025-08-31T09:30:21,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f
2025-08-31T09:30:21,770   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
2025-08-31T09:30:21,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O
2025-08-31T09:30:21,774   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
2025-08-31T09:30:21,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2
2025-08-31T09:30:21,778   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
2025-08-31T09:30:21,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl
2025-08-31T09:30:21,781   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
2025-08-31T09:30:21,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:30:21,785   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
2025-08-31T09:30:21,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots
2025-08-31T09:30:21,789   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
2025-08-31T09:30:21,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn
2025-08-31T09:30:21,793   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
2025-08-31T09:30:21,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11
2025-08-31T09:30:21,797   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
2025-08-31T09:30:21,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21
2025-08-31T09:30:21,800   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
2025-08-31T09:30:21,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17
2025-08-31T09:30:21,804   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
2025-08-31T09:30:21,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-
2025-08-31T09:30:21,808   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-
2025-08-31T09:30:21,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4
2025-08-31T09:30:21,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:30:21,815   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
2025-08-31T09:30:21,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:30:21,819   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
2025-08-31T09:30:21,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:30:21,823   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
2025-08-31T09:30:21,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:30:21,827   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
2025-08-31T09:30:21,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:30:21,831   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
2025-08-31T09:30:21,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:30:21,835   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
2025-08-31T09:30:21,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:30:21,839   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
2025-08-31T09:30:21,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:30:21,843   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
2025-08-31T09:30:21,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:30:21,847   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
2025-08-31T09:30:21,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:30:21,851   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
2025-08-31T09:30:21,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:30:21,855   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
2025-08-31T09:30:21,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:30:21,859   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
2025-08-31T09:30:21,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:30:21,863   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
2025-08-31T09:30:21,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:30:21,867   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
2025-08-31T09:30:21,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:30:21,871   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
2025-08-31T09:30:21,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:30:21,875   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
2025-08-31T09:30:21,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:30:21,880   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
2025-08-31T09:30:21,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:30:21,884   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
2025-08-31T09:30:21,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:30:21,888   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
2025-08-31T09:30:21,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:30:21,892   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
2025-08-31T09:30:21,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:30:21,895   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
2025-08-31T09:30:21,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:30:21,899   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
2025-08-31T09:30:21,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:30:21,903   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
2025-08-31T09:30:21,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:30:21,907   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
2025-08-31T09:30:21,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:30:21,911   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
2025-08-31T09:30:21,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:30:21,915   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
2025-08-31T09:30:21,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:30:21,920   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
2025-08-31T09:30:21,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:30:21,924   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
2025-08-31T09:30:21,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:30:21,929   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
2025-08-31T09:30:21,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:30:21,933   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
2025-08-31T09:30:21,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:30:21,938   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
2025-08-31T09:30:21,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:30:21,942   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
2025-08-31T09:30:21,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:30:21,946   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
2025-08-31T09:30:21,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:30:21,951   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
2025-08-31T09:30:21,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:30:21,956   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
2025-08-31T09:30:21,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:30:21,960   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
2025-08-31T09:30:21,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:30:21,965   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
2025-08-31T09:30:21,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:30:21,969   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
2025-08-31T09:30:21,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:30:21,973   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
2025-08-31T09:30:21,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:30:21,977   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
2025-08-31T09:30:21,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:30:21,982   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
2025-08-31T09:30:21,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:30:21,986   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
2025-08-31T09:30:21,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:30:21,990   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
2025-08-31T09:30:21,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:30:21,994   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
2025-08-31T09:30:21,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:30:21,997   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
2025-08-31T09:30:22,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:30:22,001   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
2025-08-31T09:30:22,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:30:22,005   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
2025-08-31T09:30:22,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:30:22,009   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
2025-08-31T09:30:22,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:30:22,013   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
2025-08-31T09:30:22,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:30:22,017   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
2025-08-31T09:30:22,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:30:22,021   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
2025-08-31T09:30:22,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:30:22,026   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
2025-08-31T09:30:22,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:30:22,030   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
2025-08-31T09:30:22,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:30:22,034   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
2025-08-31T09:30:22,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:30:22,038   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
2025-08-31T09:30:22,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:30:22,042   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
2025-08-31T09:30:22,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:30:22,046   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
2025-08-31T09:30:22,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:30:22,050   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
2025-08-31T09:30:22,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:30:22,054   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
2025-08-31T09:30:22,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:30:22,058   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
2025-08-31T09:30:22,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:30:22,062   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
2025-08-31T09:30:22,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:30:22,067   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
2025-08-31T09:30:22,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:30:22,071   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
2025-08-31T09:30:22,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:30:22,075   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
2025-08-31T09:30:22,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:30:22,080   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
2025-08-31T09:30:22,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:30:22,083   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
2025-08-31T09:30:22,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:30:22,087   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
2025-08-31T09:30:22,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:30:22,091   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
2025-08-31T09:30:22,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:30:22,096   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
2025-08-31T09:30:22,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:30:22,100   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
2025-08-31T09:30:22,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:30:22,104   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
2025-08-31T09:30:22,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:30:22,108   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
2025-08-31T09:30:22,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:30:22,112   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
2025-08-31T09:30:22,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:30:22,116   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
2025-08-31T09:30:22,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:30:22,120   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
2025-08-31T09:30:22,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:30:22,124   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
2025-08-31T09:30:22,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:30:22,128   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
2025-08-31T09:30:22,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:30:22,132   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
2025-08-31T09:30:22,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:30:22,136   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
2025-08-31T09:30:22,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:30:22,140   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
2025-08-31T09:30:22,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:30:22,144   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
2025-08-31T09:30:22,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:30:22,148   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
2025-08-31T09:30:22,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:30:22,152   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
2025-08-31T09:30:22,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:30:22,157   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
2025-08-31T09:30:22,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:30:22,161   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
2025-08-31T09:30:22,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:30:22,165   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
2025-08-31T09:30:22,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:30:22,169   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
2025-08-31T09:30:22,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:30:22,173   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
2025-08-31T09:30:22,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:30:22,176   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
2025-08-31T09:30:22,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:30:22,180   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
2025-08-31T09:30:22,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:30:22,184   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
2025-08-31T09:30:22,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:30:22,188   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
2025-08-31T09:30:22,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:30:22,192   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
2025-08-31T09:30:22,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:30:22,196   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
2025-08-31T09:30:22,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:30:22,201   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
2025-08-31T09:30:22,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:30:22,205   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
2025-08-31T09:30:22,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:30:22,209   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
2025-08-31T09:30:22,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:30:22,213   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
2025-08-31T09:30:22,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:30:22,217   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
2025-08-31T09:30:22,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:30:22,221   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
2025-08-31T09:30:22,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20
2025-08-31T09:30:22,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49
2025-08-31T09:30:22,228   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
2025-08-31T09:30:22,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40
2025-08-31T09:30:22,232   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
2025-08-31T09:30:22,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51
2025-08-31T09:30:22,236   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
2025-08-31T09:30:22,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40
2025-08-31T09:30:22,240   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
2025-08-31T09:30:22,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25
2025-08-31T09:30:22,244   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
2025-08-31T09:30:22,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45
2025-08-31T09:30:22,248   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
2025-08-31T09:30:22,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44
2025-08-31T09:30:22,252   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
2025-08-31T09:30:22,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57
2025-08-31T09:30:22,256   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
2025-08-31T09:30:22,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48
2025-08-31T09:30:22,260   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
2025-08-31T09:30:22,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22
2025-08-31T09:30:22,264   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
2025-08-31T09:30:22,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47
2025-08-31T09:30:22,268   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
2025-08-31T09:30:22,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26
2025-08-31T09:30:22,272   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
2025-08-31T09:30:22,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43
2025-08-31T09:30:22,276   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
2025-08-31T09:30:22,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52
2025-08-31T09:30:22,280   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
2025-08-31T09:30:22,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25
2025-08-31T09:30:22,284   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
2025-08-31T09:30:22,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20
2025-08-31T09:30:22,288   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
2025-08-31T09:30:22,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29
2025-08-31T09:30:22,291   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
2025-08-31T09:30:22,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21
2025-08-31T09:30:22,295   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
2025-08-31T09:30:22,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47
2025-08-31T09:30:22,300   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
2025-08-31T09:30:22,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56
2025-08-31T09:30:22,303   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
2025-08-31T09:30:22,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51
2025-08-31T09:30:22,307   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
2025-08-31T09:30:22,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49
2025-08-31T09:30:22,312   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
2025-08-31T09:30:22,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20
2025-08-31T09:30:22,316   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
2025-08-31T09:30:22,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44
2025-08-31T09:30:22,320   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
2025-08-31T09:30:22,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52
2025-08-31T09:30:22,323   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
2025-08-31T09:30:22,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26
2025-08-31T09:30:22,327   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
2025-08-31T09:30:22,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46
2025-08-31T09:30:22,331   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
2025-08-31T09:30:22,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48
2025-08-31T09:30:22,335   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
2025-08-31T09:30:22,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43
2025-08-31T09:30:22,339   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
2025-08-31T09:30:22,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46
2025-08-31T09:30:22,343   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
2025-08-31T09:30:22,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56
2025-08-31T09:30:22,347   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
2025-08-31T09:30:22,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60
2025-08-31T09:30:22,351   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
2025-08-31T09:30:22,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28
2025-08-31T09:30:22,355   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
2025-08-31T09:30:22,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60
2025-08-31T09:30:22,359   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
2025-08-31T09:30:22,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45
2025-08-31T09:30:22,363   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
2025-08-31T09:30:22,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22
2025-08-31T09:30:22,367   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
2025-08-31T09:30:22,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA
2025-08-31T09:30:22,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o
2025-08-31T09:30:22,373   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
2025-08-31T09:30:22,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12
2025-08-31T09:30:22,377   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
2025-08-31T09:30:22,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15
2025-08-31T09:30:22,381   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
2025-08-31T09:30:22,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n
2025-08-31T09:30:22,385   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
2025-08-31T09:30:22,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f
2025-08-31T09:30:22,389   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
2025-08-31T09:30:22,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14
2025-08-31T09:30:22,393   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
2025-08-31T09:30:22,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-
2025-08-31T09:30:22,397   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-
2025-08-31T09:30:22,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl
2025-08-31T09:30:22,400   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
2025-08-31T09:30:22,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p
2025-08-31T09:30:22,404   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
2025-08-31T09:30:22,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n
2025-08-31T09:30:22,408   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
2025-08-31T09:30:22,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20
2025-08-31T09:30:22,412   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
2025-08-31T09:30:22,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n
2025-08-31T09:30:22,416   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
2025-08-31T09:30:22,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n
2025-08-31T09:30:22,420   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
2025-08-31T09:30:22,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c
2025-08-31T09:30:22,423   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
2025-08-31T09:30:22,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19
2025-08-31T09:30:22,427   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
2025-08-31T09:30:22,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10
2025-08-31T09:30:22,431   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
2025-08-31T09:30:22,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21
2025-08-31T09:30:22,434   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
2025-08-31T09:30:22,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13
2025-08-31T09:30:22,438   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
2025-08-31T09:30:22,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22
2025-08-31T09:30:22,442   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
2025-08-31T09:30:22,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11
2025-08-31T09:30:22,446   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
2025-08-31T09:30:22,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n
2025-08-31T09:30:22,450   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
2025-08-31T09:30:22,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8
2025-08-31T09:30:22,454   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
2025-08-31T09:30:22,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si
2025-08-31T09:30:22,458   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
2025-08-31T09:30:22,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-
2025-08-31T09:30:22,463   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-
2025-08-31T09:30:22,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9
2025-08-31T09:30:22,467   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
2025-08-31T09:30:22,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n
2025-08-31T09:30:22,471   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
2025-08-31T09:30:22,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-
2025-08-31T09:30:22,474   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-
2025-08-31T09:30:22,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16
2025-08-31T09:30:22,478   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
2025-08-31T09:30:22,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n
2025-08-31T09:30:22,482   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
2025-08-31T09:30:22,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n
2025-08-31T09:30:22,487   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
2025-08-31T09:30:22,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-
2025-08-31T09:30:22,492   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-
2025-08-31T09:30:22,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-
2025-08-31T09:30:22,496   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-
2025-08-31T09:30:22,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n
2025-08-31T09:30:22,500   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
2025-08-31T09:30:22,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17
2025-08-31T09:30:22,504   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
2025-08-31T09:30:22,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n
2025-08-31T09:30:22,509   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
2025-08-31T09:30:22,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n
2025-08-31T09:30:22,513   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
2025-08-31T09:30:22,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-
2025-08-31T09:30:22,517   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-
2025-08-31T09:30:22,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25
2025-08-31T09:30:22,521   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
2025-08-31T09:30:22,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n
2025-08-31T09:30:22,525   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
2025-08-31T09:30:22,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n
2025-08-31T09:30:22,529   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
2025-08-31T09:30:22,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n
2025-08-31T09:30:22,533   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
2025-08-31T09:30:22,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24
2025-08-31T09:30:22,537   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
2025-08-31T09:30:22,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n
2025-08-31T09:30:22,541   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
2025-08-31T09:30:22,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s
2025-08-31T09:30:22,545   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
2025-08-31T09:30:22,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n
2025-08-31T09:30:22,549   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
2025-08-31T09:30:22,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n
2025-08-31T09:30:22,553   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
2025-08-31T09:30:22,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18
2025-08-31T09:30:22,557   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
2025-08-31T09:30:22,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:30:22,562   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-
2025-08-31T09:30:22,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n
2025-08-31T09:30:22,566   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
2025-08-31T09:30:22,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23
2025-08-31T09:30:22,571   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
2025-08-31T09:30:22,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59
2025-08-31T09:30:22,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:30:22,579   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
2025-08-31T09:30:22,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:30:22,583   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
2025-08-31T09:30:22,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:30:22,587   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
2025-08-31T09:30:22,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:30:22,591   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
2025-08-31T09:30:22,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:30:22,595   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
2025-08-31T09:30:22,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:30:22,599   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
2025-08-31T09:30:22,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:30:22,603   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
2025-08-31T09:30:22,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:30:22,607   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
2025-08-31T09:30:22,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:30:22,611   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
2025-08-31T09:30:22,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:30:22,615   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
2025-08-31T09:30:22,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:30:22,620   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
2025-08-31T09:30:22,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:30:22,623   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
2025-08-31T09:30:22,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:30:22,627   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
2025-08-31T09:30:22,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:30:22,631   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
2025-08-31T09:30:22,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:30:22,635   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
2025-08-31T09:30:22,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:30:22,639   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
2025-08-31T09:30:22,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:30:22,643   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
2025-08-31T09:30:22,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:30:22,647   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
2025-08-31T09:30:22,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS
2025-08-31T09:30:22,651   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
2025-08-31T09:30:22,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:30:22,655   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
2025-08-31T09:30:22,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:30:22,660   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
2025-08-31T09:30:22,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:30:22,664   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
2025-08-31T09:30:22,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:30:22,669   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
2025-08-31T09:30:22,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:30:22,673   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
2025-08-31T09:30:22,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:30:22,677   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
2025-08-31T09:30:22,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:30:22,681   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
2025-08-31T09:30:22,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:30:22,685   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
2025-08-31T09:30:22,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl
2025-08-31T09:30:22,689   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
2025-08-31T09:30:22,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:30:22,693   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
2025-08-31T09:30:22,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:30:22,697   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
2025-08-31T09:30:22,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:30:22,702   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
2025-08-31T09:30:22,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:30:22,705   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
2025-08-31T09:30:22,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2
2025-08-31T09:30:22,710   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
2025-08-31T09:30:22,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:30:22,714   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
2025-08-31T09:30:22,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:30:22,718   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
2025-08-31T09:30:22,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:30:22,722   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
2025-08-31T09:30:22,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:30:22,726   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
2025-08-31T09:30:22,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:30:22,730   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
2025-08-31T09:30:22,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:30:22,734   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
2025-08-31T09:30:22,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:30:22,738   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
2025-08-31T09:30:22,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:30:22,742   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
2025-08-31T09:30:22,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI
2025-08-31T09:30:22,746   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
2025-08-31T09:30:22,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:30:22,750   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
2025-08-31T09:30:22,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:30:22,754   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
2025-08-31T09:30:22,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:30:22,758   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
2025-08-31T09:30:22,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:30:22,763   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
2025-08-31T09:30:22,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:30:22,983   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
2025-08-31T09:30:22,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:30:22,989   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
2025-08-31T09:30:22,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:30:22,995   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
2025-08-31T09:30:22,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:30:23,001   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
2025-08-31T09:30:23,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:30:23,004   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
2025-08-31T09:30:23,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr
2025-08-31T09:30:23,008   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
2025-08-31T09:30:23,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:30:23,012   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
2025-08-31T09:30:23,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:30:23,016   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
2025-08-31T09:30:23,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:30:23,021   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
2025-08-31T09:30:23,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:30:23,025   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
2025-08-31T09:30:23,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:30:23,029   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
2025-08-31T09:30:23,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:30:23,034   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
2025-08-31T09:30:23,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:30:23,037   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
2025-08-31T09:30:23,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:30:23,042   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
2025-08-31T09:30:23,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr
2025-08-31T09:30:23,047   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
2025-08-31T09:30:23,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI
2025-08-31T09:30:23,055   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
2025-08-31T09:30:23,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr
2025-08-31T09:30:23,059   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
2025-08-31T09:30:23,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:30:23,063   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
2025-08-31T09:30:23,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3
2025-08-31T09:30:23,067   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
2025-08-31T09:30:23,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:30:23,072   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
2025-08-31T09:30:23,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:30:23,076   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
2025-08-31T09:30:23,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI
2025-08-31T09:30:23,080   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
2025-08-31T09:30:23,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH
2025-08-31T09:30:23,084   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
2025-08-31T09:30:23,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:30:23,089   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
2025-08-31T09:30:23,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:30:23,092   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
2025-08-31T09:30:23,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:30:23,096   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
2025-08-31T09:30:23,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe
2025-08-31T09:30:23,100   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
2025-08-31T09:30:23,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:30:23,104   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
2025-08-31T09:30:23,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:30:23,108   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
2025-08-31T09:30:23,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:30:23,112   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
2025-08-31T09:30:23,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:30:23,116   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
2025-08-31T09:30:23,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:30:23,120   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
2025-08-31T09:30:23,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:30:23,124   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
2025-08-31T09:30:23,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:30:23,128   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
2025-08-31T09:30:23,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:30:23,132   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
2025-08-31T09:30:23,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH
2025-08-31T09:30:23,136   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
2025-08-31T09:30:23,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:30:23,140   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
2025-08-31T09:30:23,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:30:23,144   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
2025-08-31T09:30:23,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:30:23,148   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
2025-08-31T09:30:23,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3
2025-08-31T09:30:23,152   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
2025-08-31T09:30:23,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:30:23,156   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
2025-08-31T09:30:23,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr
2025-08-31T09:30:23,160   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
2025-08-31T09:30:23,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:30:23,164   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
2025-08-31T09:30:23,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:30:23,168   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
2025-08-31T09:30:23,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:30:23,172   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
2025-08-31T09:30:23,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:30:23,176   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
2025-08-31T09:30:23,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:30:23,180   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
2025-08-31T09:30:23,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:30:23,184   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
2025-08-31T09:30:23,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:30:23,188   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
2025-08-31T09:30:23,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:30:23,193   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
2025-08-31T09:30:23,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI
2025-08-31T09:30:23,199   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
2025-08-31T09:30:23,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS
2025-08-31T09:30:23,204   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
2025-08-31T09:30:23,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH
2025-08-31T09:30:23,208   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
2025-08-31T09:30:23,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:30:23,212   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
2025-08-31T09:30:23,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:30:23,217   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
2025-08-31T09:30:23,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:30:23,221   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
2025-08-31T09:30:23,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:30:23,225   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
2025-08-31T09:30:23,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:30:23,229   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
2025-08-31T09:30:23,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:30:23,233   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
2025-08-31T09:30:23,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18
2025-08-31T09:30:23,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7
2025-08-31T09:30:23,239   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
2025-08-31T09:30:23,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:30:23,243   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
2025-08-31T09:30:23,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9
2025-08-31T09:30:23,247   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
2025-08-31T09:30:23,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2
2025-08-31T09:30:23,252   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
2025-08-31T09:30:23,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9
2025-08-31T09:30:23,256   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
2025-08-31T09:30:23,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4
2025-08-31T09:30:23,260   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
2025-08-31T09:30:23,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2
2025-08-31T09:30:23,264   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
2025-08-31T09:30:23,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:30:23,268   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
2025-08-31T09:30:23,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5
2025-08-31T09:30:23,272   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
2025-08-31T09:30:23,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4
2025-08-31T09:30:23,276   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
2025-08-31T09:30:23,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:30:23,280   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
2025-08-31T09:30:23,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6
2025-08-31T09:30:23,284   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
2025-08-31T09:30:23,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:30:23,288   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
2025-08-31T09:30:23,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:30:23,292   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
2025-08-31T09:30:23,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7
2025-08-31T09:30:23,296   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
2025-08-31T09:30:23,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o
2025-08-31T09:30:23,300   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
2025-08-31T09:30:23,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6
2025-08-31T09:30:23,304   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
2025-08-31T09:30:23,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5
2025-08-31T09:30:23,308   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
2025-08-31T09:30:23,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1
2025-08-31T09:30:23,311   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
2025-08-31T09:30:23,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:30:23,315   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
2025-08-31T09:30:23,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8
2025-08-31T09:30:23,320   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
2025-08-31T09:30:23,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:30:23,324   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
2025-08-31T09:30:23,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1
2025-08-31T09:30:23,328   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
2025-08-31T09:30:23,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8
2025-08-31T09:30:23,332   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
2025-08-31T09:30:23,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:30:23,337   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
2025-08-31T09:30:23,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3
2025-08-31T09:30:23,340   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
2025-08-31T09:30:23,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3
2025-08-31T09:30:23,344   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
2025-08-31T09:30:23,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:30:23,348   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
2025-08-31T09:30:23,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34
2025-08-31T09:30:23,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29
2025-08-31T09:30:23,356   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
2025-08-31T09:30:23,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28
2025-08-31T09:30:23,360   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
2025-08-31T09:30:23,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20
2025-08-31T09:30:23,364   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
2025-08-31T09:30:23,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9
2025-08-31T09:30:23,368   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
2025-08-31T09:30:23,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33
2025-08-31T09:30:23,372   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
2025-08-31T09:30:23,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24
2025-08-31T09:30:23,376   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
2025-08-31T09:30:23,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11
2025-08-31T09:30:23,380   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
2025-08-31T09:30:23,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15
2025-08-31T09:30:23,385   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
2025-08-31T09:30:23,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16
2025-08-31T09:30:23,389   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
2025-08-31T09:30:23,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19
2025-08-31T09:30:23,392   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
2025-08-31T09:30:23,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32
2025-08-31T09:30:23,396   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
2025-08-31T09:30:23,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8
2025-08-31T09:30:23,400   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
2025-08-31T09:30:23,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34
2025-08-31T09:30:23,404   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
2025-08-31T09:30:23,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7
2025-08-31T09:30:23,408   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
2025-08-31T09:30:23,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24
2025-08-31T09:30:23,412   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
2025-08-31T09:30:23,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17
2025-08-31T09:30:23,416   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
2025-08-31T09:30:23,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12
2025-08-31T09:30:23,420   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
2025-08-31T09:30:23,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21
2025-08-31T09:30:23,424   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
2025-08-31T09:30:23,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25
2025-08-31T09:30:23,428   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
2025-08-31T09:30:23,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1
2025-08-31T09:30:23,433   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
2025-08-31T09:30:23,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23
2025-08-31T09:30:23,437   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
2025-08-31T09:30:23,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13
2025-08-31T09:30:23,440   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
2025-08-31T09:30:23,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4
2025-08-31T09:30:23,444   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
2025-08-31T09:30:23,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13
2025-08-31T09:30:23,448   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
2025-08-31T09:30:23,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33
2025-08-31T09:30:23,452   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
2025-08-31T09:30:23,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15
2025-08-31T09:30:23,456   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
2025-08-31T09:30:23,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31
2025-08-31T09:30:23,460   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
2025-08-31T09:30:23,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3
2025-08-31T09:30:23,464   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
2025-08-31T09:30:23,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31
2025-08-31T09:30:23,468   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
2025-08-31T09:30:23,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22
2025-08-31T09:30:23,472   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
2025-08-31T09:30:23,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30
2025-08-31T09:30:23,476   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
2025-08-31T09:30:23,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6
2025-08-31T09:30:23,480   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
2025-08-31T09:30:23,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23
2025-08-31T09:30:23,484   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
2025-08-31T09:30:23,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10
2025-08-31T09:30:23,489   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
2025-08-31T09:30:23,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4
2025-08-31T09:30:23,494   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
2025-08-31T09:30:23,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8
2025-08-31T09:30:23,498   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
2025-08-31T09:30:23,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14
2025-08-31T09:30:23,502   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
2025-08-31T09:30:23,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16
2025-08-31T09:30:23,506   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
2025-08-31T09:30:23,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28
2025-08-31T09:30:23,510   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
2025-08-31T09:30:23,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18
2025-08-31T09:30:23,513   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
2025-08-31T09:30:23,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2
2025-08-31T09:30:23,518   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
2025-08-31T09:30:23,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32
2025-08-31T09:30:23,522   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
2025-08-31T09:30:23,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20
2025-08-31T09:30:23,526   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
2025-08-31T09:30:23,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3
2025-08-31T09:30:23,530   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
2025-08-31T09:30:23,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27
2025-08-31T09:30:23,535   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
2025-08-31T09:30:23,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11
2025-08-31T09:30:23,539   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
2025-08-31T09:30:23,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14
2025-08-31T09:30:23,543   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
2025-08-31T09:30:23,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26
2025-08-31T09:30:23,547   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
2025-08-31T09:30:23,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26
2025-08-31T09:30:23,551   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
2025-08-31T09:30:23,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21
2025-08-31T09:30:23,555   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
2025-08-31T09:30:23,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18
2025-08-31T09:30:23,559   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
2025-08-31T09:30:23,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5
2025-08-31T09:30:23,564   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
2025-08-31T09:30:23,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9
2025-08-31T09:30:23,568   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
2025-08-31T09:30:23,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1
2025-08-31T09:30:23,572   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
2025-08-31T09:30:23,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7
2025-08-31T09:30:23,576   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
2025-08-31T09:30:23,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29
2025-08-31T09:30:23,580   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
2025-08-31T09:30:23,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17
2025-08-31T09:30:23,584   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
2025-08-31T09:30:23,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12
2025-08-31T09:30:23,589   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
2025-08-31T09:30:23,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34
2025-08-31T09:30:23,593   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
2025-08-31T09:30:23,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10
2025-08-31T09:30:23,597   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
2025-08-31T09:30:23,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27
2025-08-31T09:30:23,602   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
2025-08-31T09:30:23,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25
2025-08-31T09:30:23,606   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
2025-08-31T09:30:23,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30
2025-08-31T09:30:23,610   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
2025-08-31T09:30:23,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13
2025-08-31T09:30:23,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2
2025-08-31T09:30:23,616   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
2025-08-31T09:30:23,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:30:23,621   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
2025-08-31T09:30:23,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2
2025-08-31T09:30:23,625   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
2025-08-31T09:30:23,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip
2025-08-31T09:30:23,629   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
2025-08-31T09:30:23,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8
2025-08-31T09:30:23,633   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
2025-08-31T09:30:23,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb
2025-08-31T09:30:23,636   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
2025-08-31T09:30:23,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36
2025-08-31T09:30:23,641   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
2025-08-31T09:30:23,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen
2025-08-31T09:30:23,645   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
2025-08-31T09:30:23,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35
2025-08-31T09:30:23,649   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
2025-08-31T09:30:23,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene
2025-08-31T09:30:23,653   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
2025-08-31T09:30:23,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl
2025-08-31T09:30:23,657   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
2025-08-31T09:30:23,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:30:23,661   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
2025-08-31T09:30:23,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3
2025-08-31T09:30:23,665   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
2025-08-31T09:30:23,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be
2025-08-31T09:30:23,669   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
2025-08-31T09:30:23,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:30:23,673   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
2025-08-31T09:30:23,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen
2025-08-31T09:30:23,677   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
2025-08-31T09:30:23,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36
2025-08-31T09:30:23,681   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
2025-08-31T09:30:23,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:30:23,685   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
2025-08-31T09:30:23,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2
2025-08-31T09:30:23,690   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
2025-08-31T09:30:23,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4
2025-08-31T09:30:23,695   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
2025-08-31T09:30:23,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2
2025-08-31T09:30:23,698   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
2025-08-31T09:30:23,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1
2025-08-31T09:30:23,702   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
2025-08-31T09:30:23,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne
2025-08-31T09:30:23,706   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
2025-08-31T09:30:23,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4
2025-08-31T09:30:23,710   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
2025-08-31T09:30:23,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6
2025-08-31T09:30:23,714   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
2025-08-31T09:30:23,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL
2025-08-31T09:30:23,718   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
2025-08-31T09:30:23,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage
2025-08-31T09:30:23,722   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
2025-08-31T09:30:23,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2
2025-08-31T09:30:23,726   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
2025-08-31T09:30:23,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35
2025-08-31T09:30:23,730   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
2025-08-31T09:30:23,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6
2025-08-31T09:30:23,734   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
2025-08-31T09:30:23,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26
2025-08-31T09:30:23,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2
2025-08-31T09:30:23,741   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
2025-08-31T09:30:23,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p
2025-08-31T09:30:23,745   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
2025-08-31T09:30:23,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p
2025-08-31T09:30:23,749   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
2025-08-31T09:30:23,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp
2025-08-31T09:30:23,753   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
2025-08-31T09:30:23,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp
2025-08-31T09:30:23,756   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
2025-08-31T09:30:23,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6
2025-08-31T09:30:23,760   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
2025-08-31T09:30:23,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp
2025-08-31T09:30:23,764   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
2025-08-31T09:30:23,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp
2025-08-31T09:30:23,768   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
2025-08-31T09:30:23,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s
2025-08-31T09:30:23,772   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
2025-08-31T09:30:23,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4
2025-08-31T09:30:23,776   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
2025-08-31T09:30:23,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass
2025-08-31T09:30:23,780   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
2025-08-31T09:30:23,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6
2025-08-31T09:30:23,785   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
2025-08-31T09:30:23,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap
2025-08-31T09:30:23,788   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
2025-08-31T09:30:23,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G
2025-08-31T09:30:23,793   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
2025-08-31T09:30:23,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly
2025-08-31T09:30:23,797   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
2025-08-31T09:30:23,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp
2025-08-31T09:30:23,802   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
2025-08-31T09:30:23,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp
2025-08-31T09:30:23,805   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
2025-08-31T09:30:23,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp
2025-08-31T09:30:23,810   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
2025-08-31T09:30:23,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op
2025-08-31T09:30:23,814   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
2025-08-31T09:30:23,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys
2025-08-31T09:30:23,818   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
2025-08-31T09:30:23,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp
2025-08-31T09:30:23,824   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
2025-08-31T09:30:23,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8
2025-08-31T09:30:23,828   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
2025-08-31T09:30:23,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p
2025-08-31T09:30:23,833   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
2025-08-31T09:30:23,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol
2025-08-31T09:30:23,837   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
2025-08-31T09:30:23,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp
2025-08-31T09:30:23,841   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
2025-08-31T09:30:23,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T
2025-08-31T09:30:23,845   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
2025-08-31T09:30:23,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p
2025-08-31T09:30:23,849   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
2025-08-31T09:30:23,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:30:23,853   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
2025-08-31T09:30:23,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p
2025-08-31T09:30:23,858   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
2025-08-31T09:30:23,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p
2025-08-31T09:30:23,863   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
2025-08-31T09:30:23,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p
2025-08-31T09:30:23,867   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
2025-08-31T09:30:23,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o
2025-08-31T09:30:23,871   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
2025-08-31T09:30:23,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4
2025-08-31T09:30:23,878   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
2025-08-31T09:30:23,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh
2025-08-31T09:30:23,884   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
2025-08-31T09:30:23,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p
2025-08-31T09:30:23,889   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
2025-08-31T09:30:23,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s
2025-08-31T09:30:23,893   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
2025-08-31T09:30:23,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:30:23,897   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
2025-08-31T09:30:23,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3
2025-08-31T09:30:23,902   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
2025-08-31T09:30:23,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp
2025-08-31T09:30:23,906   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
2025-08-31T09:30:23,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A
2025-08-31T09:30:23,911   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
2025-08-31T09:30:23,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C
2025-08-31T09:30:23,915   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
2025-08-31T09:30:23,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6
2025-08-31T09:30:23,919   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
2025-08-31T09:30:23,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2
2025-08-31T09:30:23,923   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
2025-08-31T09:30:23,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp
2025-08-31T09:30:23,927   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
2025-08-31T09:30:23,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2
2025-08-31T09:30:23,931   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
2025-08-31T09:30:23,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p
2025-08-31T09:30:23,935   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
2025-08-31T09:30:23,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p
2025-08-31T09:30:23,939   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
2025-08-31T09:30:23,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl
2025-08-31T09:30:23,943   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
2025-08-31T09:30:23,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p
2025-08-31T09:30:23,947   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
2025-08-31T09:30:23,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol
2025-08-31T09:30:23,951   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
2025-08-31T09:30:23,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp
2025-08-31T09:30:23,955   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
2025-08-31T09:30:23,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3
2025-08-31T09:30:23,959   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
2025-08-31T09:30:23,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27
2025-08-31T09:30:23,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:30:23,965   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
2025-08-31T09:30:23,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:30:23,970   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
2025-08-31T09:30:23,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:30:23,974   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
2025-08-31T09:30:23,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:30:23,978   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
2025-08-31T09:30:23,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:30:23,982   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
2025-08-31T09:30:23,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:30:23,986   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
2025-08-31T09:30:23,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:30:23,990   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
2025-08-31T09:30:23,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2
2025-08-31T09:30:23,994   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
2025-08-31T09:30:23,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:30:23,999   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
2025-08-31T09:30:24,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:30:24,002   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
2025-08-31T09:30:24,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:30:24,007   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
2025-08-31T09:30:24,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:30:24,011   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
2025-08-31T09:30:24,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:30:24,014   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
2025-08-31T09:30:24,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:30:24,018   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
2025-08-31T09:30:24,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:30:24,022   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
2025-08-31T09:30:24,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:30:24,026   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
2025-08-31T09:30:24,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:30:24,030   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
2025-08-31T09:30:24,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:30:24,034   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
2025-08-31T09:30:24,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:30:24,038   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
2025-08-31T09:30:24,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:30:24,042   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
2025-08-31T09:30:24,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:30:24,046   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
2025-08-31T09:30:24,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:30:24,050   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
2025-08-31T09:30:24,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:30:24,054   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
2025-08-31T09:30:24,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:30:24,058   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
2025-08-31T09:30:24,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:30:24,062   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
2025-08-31T09:30:24,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:30:24,066   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
2025-08-31T09:30:24,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:30:24,070   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
2025-08-31T09:30:24,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:30:24,074   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
2025-08-31T09:30:24,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:30:24,078   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
2025-08-31T09:30:24,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:30:24,082   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
2025-08-31T09:30:24,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:30:24,085   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
2025-08-31T09:30:24,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:30:24,090   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
2025-08-31T09:30:24,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:30:24,094   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
2025-08-31T09:30:24,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2
2025-08-31T09:30:24,098   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
2025-08-31T09:30:24,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:30:24,102   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
2025-08-31T09:30:24,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:30:24,106   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
2025-08-31T09:30:24,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:30:24,110   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
2025-08-31T09:30:24,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:30:24,114   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
2025-08-31T09:30:24,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:30:24,118   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
2025-08-31T09:30:24,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:30:24,122   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
2025-08-31T09:30:24,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51
2025-08-31T09:30:24,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:30:24,129   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
2025-08-31T09:30:24,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:30:24,133   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
2025-08-31T09:30:24,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane
2025-08-31T09:30:24,137   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
2025-08-31T09:30:24,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO
2025-08-31T09:30:24,141   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
2025-08-31T09:30:24,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO
2025-08-31T09:30:24,146   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
2025-08-31T09:30:24,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:30:24,151   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
2025-08-31T09:30:24,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne
2025-08-31T09:30:24,155   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
2025-08-31T09:30:24,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran
2025-08-31T09:30:24,159   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
2025-08-31T09:30:24,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:30:24,163   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
2025-08-31T09:30:24,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:30:24,170   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
2025-08-31T09:30:24,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2
2025-08-31T09:30:24,174   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
2025-08-31T09:30:24,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2
2025-08-31T09:30:24,178   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
2025-08-31T09:30:24,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene
2025-08-31T09:30:24,182   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
2025-08-31T09:30:24,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:30:24,186   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
2025-08-31T09:30:24,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:30:24,190   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
2025-08-31T09:30:24,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:30:24,194   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
2025-08-31T09:30:24,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:30:24,198   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
2025-08-31T09:30:24,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:30:24,202   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
2025-08-31T09:30:24,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol
2025-08-31T09:30:24,206   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
2025-08-31T09:30:24,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:30:24,210   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
2025-08-31T09:30:24,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:30:24,214   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
2025-08-31T09:30:24,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:30:24,218   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
2025-08-31T09:30:24,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:30:24,222   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
2025-08-31T09:30:24,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene
2025-08-31T09:30:24,226   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
2025-08-31T09:30:24,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:30:24,229   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
2025-08-31T09:30:24,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne
2025-08-31T09:30:24,233   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
2025-08-31T09:30:24,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:30:24,237   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
2025-08-31T09:30:24,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:30:24,241   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
2025-08-31T09:30:24,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:30:24,246   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
2025-08-31T09:30:24,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene
2025-08-31T09:30:24,250   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
2025-08-31T09:30:24,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:30:24,254   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
2025-08-31T09:30:24,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:30:24,257   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
2025-08-31T09:30:24,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:30:24,261   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
2025-08-31T09:30:24,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:30:24,265   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
2025-08-31T09:30:24,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:30:24,269   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
2025-08-31T09:30:24,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:30:24,274   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
2025-08-31T09:30:24,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:30:24,278   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
2025-08-31T09:30:24,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:30:24,282   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
2025-08-31T09:30:24,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2
2025-08-31T09:30:24,286   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
2025-08-31T09:30:24,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine
2025-08-31T09:30:24,291   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
2025-08-31T09:30:24,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:30:24,295   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
2025-08-31T09:30:24,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene
2025-08-31T09:30:24,299   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
2025-08-31T09:30:24,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione
2025-08-31T09:30:24,303   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
2025-08-31T09:30:24,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:30:24,307   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
2025-08-31T09:30:24,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:30:24,311   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
2025-08-31T09:30:24,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:30:24,315   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
2025-08-31T09:30:24,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2
2025-08-31T09:30:24,319   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
2025-08-31T09:30:24,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol
2025-08-31T09:30:24,322   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
2025-08-31T09:30:24,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:30:24,326   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
2025-08-31T09:30:24,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:30:24,330   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
2025-08-31T09:30:24,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:30:24,334   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
2025-08-31T09:30:24,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol
2025-08-31T09:30:24,338   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
2025-08-31T09:30:24,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:30:24,342   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
2025-08-31T09:30:24,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:30:24,346   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
2025-08-31T09:30:24,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne
2025-08-31T09:30:24,350   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
2025-08-31T09:30:24,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH
2025-08-31T09:30:24,353   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
2025-08-31T09:30:24,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane
2025-08-31T09:30:24,357   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
2025-08-31T09:30:24,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol
2025-08-31T09:30:24,361   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
2025-08-31T09:30:24,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:30:24,364   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
2025-08-31T09:30:24,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:30:24,368   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
2025-08-31T09:30:24,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3
2025-08-31T09:30:24,372   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
2025-08-31T09:30:24,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2
2025-08-31T09:30:24,376   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
2025-08-31T09:30:24,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane
2025-08-31T09:30:24,380   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
2025-08-31T09:30:24,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine
2025-08-31T09:30:24,384   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
2025-08-31T09:30:24,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S
2025-08-31T09:30:24,388   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
2025-08-31T09:30:24,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene
2025-08-31T09:30:24,392   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
2025-08-31T09:30:24,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole
2025-08-31T09:30:24,395   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
2025-08-31T09:30:24,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene
2025-08-31T09:30:24,399   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
2025-08-31T09:30:24,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:30:24,403   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
2025-08-31T09:30:24,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:30:24,407   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
2025-08-31T09:30:24,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN
2025-08-31T09:30:24,411   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
2025-08-31T09:30:24,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne
2025-08-31T09:30:24,415   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
2025-08-31T09:30:24,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane
2025-08-31T09:30:24,419   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
2025-08-31T09:30:24,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:30:24,423   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
2025-08-31T09:30:24,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O
2025-08-31T09:30:24,427   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
2025-08-31T09:30:24,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:30:24,432   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
2025-08-31T09:30:24,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene
2025-08-31T09:30:24,438   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
2025-08-31T09:30:24,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN
2025-08-31T09:30:24,442   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
2025-08-31T09:30:24,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene
2025-08-31T09:30:24,446   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
2025-08-31T09:30:24,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl
2025-08-31T09:30:24,450   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
2025-08-31T09:30:24,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:30:24,454   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
2025-08-31T09:30:24,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:30:24,458   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
2025-08-31T09:30:24,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:30:24,462   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
2025-08-31T09:30:24,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:30:24,466   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
2025-08-31T09:30:24,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O
2025-08-31T09:30:24,470   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
2025-08-31T09:30:24,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:30:24,474   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
2025-08-31T09:30:24,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran
2025-08-31T09:30:24,477   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
2025-08-31T09:30:24,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20
2025-08-31T09:30:24,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES
2025-08-31T09:30:24,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18
2025-08-31T09:30:24,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne
2025-08-31T09:30:24,489   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
2025-08-31T09:30:24,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6
2025-08-31T09:30:24,493   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
2025-08-31T09:30:24,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2
2025-08-31T09:30:24,497   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
2025-08-31T09:30:24,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe
2025-08-31T09:30:24,501   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
2025-08-31T09:30:24,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:30:24,504   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
2025-08-31T09:30:24,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe
2025-08-31T09:30:24,508   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
2025-08-31T09:30:24,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr
2025-08-31T09:30:24,512   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
2025-08-31T09:30:24,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:30:24,516   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
2025-08-31T09:30:24,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf
2025-08-31T09:30:24,520   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
2025-08-31T09:30:24,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3
2025-08-31T09:30:24,524   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
2025-08-31T09:30:24,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4
2025-08-31T09:30:24,528   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
2025-08-31T09:30:24,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz
2025-08-31T09:30:24,532   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
2025-08-31T09:30:24,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4
2025-08-31T09:30:24,536   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
2025-08-31T09:30:24,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr
2025-08-31T09:30:24,540   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
2025-08-31T09:30:24,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3
2025-08-31T09:30:24,544   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
2025-08-31T09:30:24,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3
2025-08-31T09:30:24,548   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
2025-08-31T09:30:24,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2
2025-08-31T09:30:24,552   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
2025-08-31T09:30:24,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2
2025-08-31T09:30:24,556   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
2025-08-31T09:30:24,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:30:24,561   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
2025-08-31T09:30:24,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6
2025-08-31T09:30:24,566   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
2025-08-31T09:30:24,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr
2025-08-31T09:30:24,570   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
2025-08-31T09:30:24,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr
2025-08-31T09:30:24,574   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
2025-08-31T09:30:24,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:30:24,578   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
2025-08-31T09:30:24,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar
2025-08-31T09:30:24,582   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
2025-08-31T09:30:24,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2
2025-08-31T09:30:24,586   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
2025-08-31T09:30:24,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC
2025-08-31T09:30:24,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117
2025-08-31T09:30:24,593   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
2025-08-31T09:30:24,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23
2025-08-31T09:30:24,597   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
2025-08-31T09:30:24,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121
2025-08-31T09:30:24,601   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
2025-08-31T09:30:24,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11
2025-08-31T09:30:24,605   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
2025-08-31T09:30:24,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67
2025-08-31T09:30:24,609   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
2025-08-31T09:30:24,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118
2025-08-31T09:30:24,612   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
2025-08-31T09:30:24,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68
2025-08-31T09:30:24,616   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
2025-08-31T09:30:24,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56
2025-08-31T09:30:24,620   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
2025-08-31T09:30:24,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6
2025-08-31T09:30:24,624   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
2025-08-31T09:30:24,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8
2025-08-31T09:30:24,628   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
2025-08-31T09:30:24,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47
2025-08-31T09:30:24,632   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
2025-08-31T09:30:24,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88
2025-08-31T09:30:24,636   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
2025-08-31T09:30:24,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32
2025-08-31T09:30:24,640   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
2025-08-31T09:30:24,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39
2025-08-31T09:30:24,644   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
2025-08-31T09:30:24,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14
2025-08-31T09:30:24,647   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
2025-08-31T09:30:24,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34
2025-08-31T09:30:24,651   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
2025-08-31T09:30:24,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22
2025-08-31T09:30:24,655   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
2025-08-31T09:30:24,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59
2025-08-31T09:30:24,659   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
2025-08-31T09:30:24,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51
2025-08-31T09:30:24,663   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
2025-08-31T09:30:24,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60
2025-08-31T09:30:24,667   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
2025-08-31T09:30:24,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128
2025-08-31T09:30:24,671   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
2025-08-31T09:30:24,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113
2025-08-31T09:30:24,675   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
2025-08-31T09:30:24,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82
2025-08-31T09:30:24,679   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
2025-08-31T09:30:24,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24
2025-08-31T09:30:24,683   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
2025-08-31T09:30:24,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33
2025-08-31T09:30:24,687   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
2025-08-31T09:30:24,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25
2025-08-31T09:30:24,691   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
2025-08-31T09:30:24,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26
2025-08-31T09:30:24,695   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
2025-08-31T09:30:24,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1
2025-08-31T09:30:24,699   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
2025-08-31T09:30:24,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52
2025-08-31T09:30:24,703   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
2025-08-31T09:30:24,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66
2025-08-31T09:30:24,707   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
2025-08-31T09:30:24,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94
2025-08-31T09:30:24,711   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
2025-08-31T09:30:24,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73
2025-08-31T09:30:24,715   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
2025-08-31T09:30:24,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13
2025-08-31T09:30:24,719   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
2025-08-31T09:30:24,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97
2025-08-31T09:30:24,722   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
2025-08-31T09:30:24,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45
2025-08-31T09:30:24,726   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
2025-08-31T09:30:24,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62
2025-08-31T09:30:24,730   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
2025-08-31T09:30:24,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18
2025-08-31T09:30:24,734   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
2025-08-31T09:30:24,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58
2025-08-31T09:30:24,737   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
2025-08-31T09:30:24,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104
2025-08-31T09:30:24,741   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
2025-08-31T09:30:24,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40
2025-08-31T09:30:24,745   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
2025-08-31T09:30:24,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126
2025-08-31T09:30:24,750   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
2025-08-31T09:30:24,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61
2025-08-31T09:30:24,754   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
2025-08-31T09:30:24,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30
2025-08-31T09:30:24,758   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
2025-08-31T09:30:24,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21
2025-08-31T09:30:24,762   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
2025-08-31T09:30:24,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106
2025-08-31T09:30:24,766   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
2025-08-31T09:30:24,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100
2025-08-31T09:30:24,770   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
2025-08-31T09:30:24,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57
2025-08-31T09:30:24,773   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
2025-08-31T09:30:24,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6
2025-08-31T09:30:24,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23
2025-08-31T09:30:24,779   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
2025-08-31T09:30:24,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B
2025-08-31T09:30:24,783   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
2025-08-31T09:30:24,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A
2025-08-31T09:30:24,787   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
2025-08-31T09:30:24,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A
2025-08-31T09:30:24,791   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
2025-08-31T09:30:24,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A
2025-08-31T09:30:24,795   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
2025-08-31T09:30:24,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22
2025-08-31T09:30:24,798   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
2025-08-31T09:30:24,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B
2025-08-31T09:30:24,802   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
2025-08-31T09:30:24,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B
2025-08-31T09:30:24,806   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
2025-08-31T09:30:24,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B
2025-08-31T09:30:24,810   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
2025-08-31T09:30:24,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A
2025-08-31T09:30:24,814   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
2025-08-31T09:30:24,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24
2025-08-31T09:30:24,818   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
2025-08-31T09:30:24,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25
2025-08-31T09:30:24,822   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
2025-08-31T09:30:24,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B
2025-08-31T09:30:24,826   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
2025-08-31T09:30:24,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26
2025-08-31T09:30:24,830   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
2025-08-31T09:30:24,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A
2025-08-31T09:30:24,834   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
2025-08-31T09:30:24,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27
2025-08-31T09:30:24,838   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
2025-08-31T09:30:24,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B
2025-08-31T09:30:24,842   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
2025-08-31T09:30:24,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A
2025-08-31T09:30:24,846   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
2025-08-31T09:30:24,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF
2025-08-31T09:30:24,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23
2025-08-31T09:30:24,853   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
2025-08-31T09:30:24,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43
2025-08-31T09:30:24,857   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
2025-08-31T09:30:24,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48
2025-08-31T09:30:24,861   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
2025-08-31T09:30:24,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11
2025-08-31T09:30:24,865   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
2025-08-31T09:30:24,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31
2025-08-31T09:30:24,869   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
2025-08-31T09:30:24,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15
2025-08-31T09:30:24,873   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
2025-08-31T09:30:24,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20
2025-08-31T09:30:24,877   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
2025-08-31T09:30:24,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6
2025-08-31T09:30:24,881   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
2025-08-31T09:30:24,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36
2025-08-31T09:30:24,884   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
2025-08-31T09:30:24,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8
2025-08-31T09:30:24,888   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
2025-08-31T09:30:24,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9
2025-08-31T09:30:24,892   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
2025-08-31T09:30:24,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47
2025-08-31T09:30:24,896   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
2025-08-31T09:30:24,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32
2025-08-31T09:30:24,900   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
2025-08-31T09:30:24,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39
2025-08-31T09:30:24,904   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
2025-08-31T09:30:24,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14
2025-08-31T09:30:24,908   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
2025-08-31T09:30:24,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34
2025-08-31T09:30:24,912   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
2025-08-31T09:30:24,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38
2025-08-31T09:30:24,916   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
2025-08-31T09:30:24,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22
2025-08-31T09:30:24,919   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
2025-08-31T09:30:24,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51
2025-08-31T09:30:24,923   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
2025-08-31T09:30:24,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29
2025-08-31T09:30:24,927   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
2025-08-31T09:30:24,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2
2025-08-31T09:30:24,931   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
2025-08-31T09:30:24,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19
2025-08-31T09:30:24,935   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
2025-08-31T09:30:24,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24
2025-08-31T09:30:24,940   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
2025-08-31T09:30:24,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33
2025-08-31T09:30:24,944   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
2025-08-31T09:30:24,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25
2025-08-31T09:30:24,948   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
2025-08-31T09:30:24,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28
2025-08-31T09:30:24,952   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
2025-08-31T09:30:24,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35
2025-08-31T09:30:24,955   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
2025-08-31T09:30:24,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50
2025-08-31T09:30:24,959   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
2025-08-31T09:30:24,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16
2025-08-31T09:30:24,963   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
2025-08-31T09:30:24,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26
2025-08-31T09:30:24,967   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
2025-08-31T09:30:24,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1
2025-08-31T09:30:24,971   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
2025-08-31T09:30:24,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52
2025-08-31T09:30:24,975   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
2025-08-31T09:30:24,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10
2025-08-31T09:30:24,979   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
2025-08-31T09:30:24,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5
2025-08-31T09:30:24,983   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
2025-08-31T09:30:24,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41
2025-08-31T09:30:24,987   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
2025-08-31T09:30:24,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37
2025-08-31T09:30:24,991   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
2025-08-31T09:30:24,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49
2025-08-31T09:30:24,995   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
2025-08-31T09:30:24,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12
2025-08-31T09:30:24,998   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
2025-08-31T09:30:25,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13
2025-08-31T09:30:25,002   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
2025-08-31T09:30:25,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45
2025-08-31T09:30:25,006   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
2025-08-31T09:30:25,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18
2025-08-31T09:30:25,010   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
2025-08-31T09:30:25,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7
2025-08-31T09:30:25,014   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
2025-08-31T09:30:25,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40
2025-08-31T09:30:25,017   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
2025-08-31T09:30:25,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30
2025-08-31T09:30:25,021   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
2025-08-31T09:30:25,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21
2025-08-31T09:30:25,026   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
2025-08-31T09:30:25,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27
2025-08-31T09:30:25,030   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
2025-08-31T09:30:25,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3
2025-08-31T09:30:25,033   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
2025-08-31T09:30:25,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44
2025-08-31T09:30:25,037   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
2025-08-31T09:30:25,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42
2025-08-31T09:30:25,042   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
2025-08-31T09:30:25,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46
2025-08-31T09:30:25,046   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
2025-08-31T09:30:25,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4
2025-08-31T09:30:25,049   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
2025-08-31T09:30:25,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17
2025-08-31T09:30:25,053   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
2025-08-31T09:30:25,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27
2025-08-31T09:30:25,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4
2025-08-31T09:30:25,060   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
2025-08-31T09:30:25,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:30:25,064   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
2025-08-31T09:30:25,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm
2025-08-31T09:30:25,068   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
2025-08-31T09:30:25,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:30:25,072   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
2025-08-31T09:30:25,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:30:25,076   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
2025-08-31T09:30:25,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:30:25,079   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
2025-08-31T09:30:25,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:30:25,083   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
2025-08-31T09:30:25,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:30:25,087   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
2025-08-31T09:30:25,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:30:25,091   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
2025-08-31T09:30:25,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:30:25,095   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
2025-08-31T09:30:25,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es
2025-08-31T09:30:25,099   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
2025-08-31T09:30:25,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:30:25,102   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
2025-08-31T09:30:25,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3
2025-08-31T09:30:25,106   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
2025-08-31T09:30:25,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b
2025-08-31T09:30:25,110   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
2025-08-31T09:30:25,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:30:25,114   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
2025-08-31T09:30:25,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2
2025-08-31T09:30:25,118   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
2025-08-31T09:30:25,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20
2025-08-31T09:30:25,121   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
2025-08-31T09:30:25,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:30:25,125   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
2025-08-31T09:30:25,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:30:25,129   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
2025-08-31T09:30:25,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5
2025-08-31T09:30:25,133   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
2025-08-31T09:30:25,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:30:25,137   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
2025-08-31T09:30:25,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:30:25,141   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
2025-08-31T09:30:25,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:30:25,145   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
2025-08-31T09:30:25,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op
2025-08-31T09:30:25,148   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
2025-08-31T09:30:25,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c
2025-08-31T09:30:25,152   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
2025-08-31T09:30:25,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:30:25,156   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
2025-08-31T09:30:25,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:30:25,160   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
2025-08-31T09:30:25,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O
2025-08-31T09:30:25,164   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
2025-08-31T09:30:25,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:30:25,167   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
2025-08-31T09:30:25,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6
2025-08-31T09:30:25,171   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
2025-08-31T09:30:25,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28
2025-08-31T09:30:25,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:30:25,178   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
2025-08-31T09:30:25,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi
2025-08-31T09:30:25,182   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
2025-08-31T09:30:25,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:30:25,186   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
2025-08-31T09:30:25,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:30:25,190   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
2025-08-31T09:30:25,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:30:25,194   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
2025-08-31T09:30:25,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:30:25,198   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
2025-08-31T09:30:25,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:30:25,202   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
2025-08-31T09:30:25,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:30:25,206   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
2025-08-31T09:30:25,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:30:25,210   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
2025-08-31T09:30:25,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2
2025-08-31T09:30:25,214   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
2025-08-31T09:30:25,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:30:25,218   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
2025-08-31T09:30:25,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:30:25,222   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
2025-08-31T09:30:25,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:30:25,225   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
2025-08-31T09:30:25,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:30:25,229   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
2025-08-31T09:30:25,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:30:25,233   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
2025-08-31T09:30:25,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr
2025-08-31T09:30:25,237   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
2025-08-31T09:30:25,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:30:25,241   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
2025-08-31T09:30:25,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:30:25,245   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
2025-08-31T09:30:25,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:30:25,248   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
2025-08-31T09:30:25,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:30:25,252   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
2025-08-31T09:30:25,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:30:25,256   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
2025-08-31T09:30:25,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:30:25,260   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
2025-08-31T09:30:25,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o
2025-08-31T09:30:25,264   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
2025-08-31T09:30:25,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:30:25,267   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
2025-08-31T09:30:25,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:30:25,271   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
2025-08-31T09:30:25,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:30:25,275   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
2025-08-31T09:30:25,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:30:25,279   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
2025-08-31T09:30:25,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s
2025-08-31T09:30:25,283   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
2025-08-31T09:30:25,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:30:25,287   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
2025-08-31T09:30:25,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:30:25,291   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
2025-08-31T09:30:25,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:30:25,295   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
2025-08-31T09:30:25,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:30:25,299   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
2025-08-31T09:30:25,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:30:25,302   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
2025-08-31T09:30:25,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:30:25,306   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
2025-08-31T09:30:25,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3
2025-08-31T09:30:25,310   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
2025-08-31T09:30:25,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:30:25,314   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
2025-08-31T09:30:25,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl
2025-08-31T09:30:25,318   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
2025-08-31T09:30:25,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3
2025-08-31T09:30:25,322   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
2025-08-31T09:30:25,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23
2025-08-31T09:30:25,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p
2025-08-31T09:30:25,327   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
2025-08-31T09:30:25,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d
2025-08-31T09:30:25,331   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
2025-08-31T09:30:25,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a
2025-08-31T09:30:25,335   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
2025-08-31T09:30:25,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a
2025-08-31T09:30:25,339   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
2025-08-31T09:30:25,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m
2025-08-31T09:30:25,343   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
2025-08-31T09:30:25,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p
2025-08-31T09:30:25,347   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
2025-08-31T09:30:25,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p
2025-08-31T09:30:25,351   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
2025-08-31T09:30:25,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a
2025-08-31T09:30:25,356   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
2025-08-31T09:30:25,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f
2025-08-31T09:30:25,361   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
2025-08-31T09:30:25,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p
2025-08-31T09:30:25,365   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
2025-08-31T09:30:25,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a
2025-08-31T09:30:25,369   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
2025-08-31T09:30:25,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a
2025-08-31T09:30:25,373   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
2025-08-31T09:30:25,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d
2025-08-31T09:30:25,377   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
2025-08-31T09:30:25,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b
2025-08-31T09:30:25,382   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
2025-08-31T09:30:25,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g
2025-08-31T09:30:25,386   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
2025-08-31T09:30:25,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b
2025-08-31T09:30:25,390   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
2025-08-31T09:30:25,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa
2025-08-31T09:30:25,393   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
2025-08-31T09:30:25,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e
2025-08-31T09:30:25,397   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
2025-08-31T09:30:25,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b
2025-08-31T09:30:25,401   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
2025-08-31T09:30:25,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b
2025-08-31T09:30:25,405   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
2025-08-31T09:30:25,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a
2025-08-31T09:30:25,410   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
2025-08-31T09:30:25,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z
2025-08-31T09:30:25,414   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
2025-08-31T09:30:25,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c
2025-08-31T09:30:25,418   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
2025-08-31T09:30:25,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h
2025-08-31T09:30:25,422   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
2025-08-31T09:30:25,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12
2025-08-31T09:30:25,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:30:25,428   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
2025-08-31T09:30:25,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:30:25,432   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
2025-08-31T09:30:25,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:30:25,436   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
2025-08-31T09:30:25,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:30:25,440   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
2025-08-31T09:30:25,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:30:25,443   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
2025-08-31T09:30:25,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:30:25,447   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
2025-08-31T09:30:25,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:30:25,451   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
2025-08-31T09:30:25,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:30:25,455   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
2025-08-31T09:30:25,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N
2025-08-31T09:30:25,459   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
2025-08-31T09:30:25,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:30:25,462   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
2025-08-31T09:30:25,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:30:25,466   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
2025-08-31T09:30:25,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O
2025-08-31T09:30:25,470   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
2025-08-31T09:30:25,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:30:25,474   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
2025-08-31T09:30:25,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:30:25,478   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
2025-08-31T09:30:25,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N
2025-08-31T09:30:25,482   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
2025-08-31T09:30:25,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:30:25,485   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
2025-08-31T09:30:25,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O
2025-08-31T09:30:25,490   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
2025-08-31T09:30:25,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N
2025-08-31T09:30:25,494   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
2025-08-31T09:30:25,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:30:25,497   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
2025-08-31T09:30:25,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:30:25,501   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
2025-08-31T09:30:25,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N
2025-08-31T09:30:25,505   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
2025-08-31T09:30:25,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:30:25,508   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
2025-08-31T09:30:25,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL
2025-08-31T09:30:25,512   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
2025-08-31T09:30:25,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:30:25,516   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
2025-08-31T09:30:25,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:30:25,520   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
2025-08-31T09:30:25,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:30:25,524   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
2025-08-31T09:30:25,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O
2025-08-31T09:30:25,528   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
2025-08-31T09:30:25,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:30:25,532   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
2025-08-31T09:30:25,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:30:25,536   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
2025-08-31T09:30:25,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O
2025-08-31T09:30:25,540   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
2025-08-31T09:30:25,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL
2025-08-31T09:30:25,543   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
2025-08-31T09:30:25,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:30:25,547   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
2025-08-31T09:30:25,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL
2025-08-31T09:30:25,551   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
2025-08-31T09:30:25,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL
2025-08-31T09:30:25,555   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
2025-08-31T09:30:25,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:30:25,559   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
2025-08-31T09:30:25,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:30:25,562   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
2025-08-31T09:30:25,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24
2025-08-31T09:30:25,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS
2025-08-31T09:30:25,569   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
2025-08-31T09:30:25,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3
2025-08-31T09:30:25,573   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
2025-08-31T09:30:25,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:30:25,577   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
2025-08-31T09:30:25,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:30:25,581   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
2025-08-31T09:30:25,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:30:25,584   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
2025-08-31T09:30:25,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:30:25,588   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
2025-08-31T09:30:25,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS
2025-08-31T09:30:25,592   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
2025-08-31T09:30:25,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:30:25,596   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
2025-08-31T09:30:25,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:30:25,599   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
2025-08-31T09:30:25,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:30:25,603   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
2025-08-31T09:30:25,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:30:25,607   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
2025-08-31T09:30:25,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:30:25,611   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
2025-08-31T09:30:25,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:30:25,615   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
2025-08-31T09:30:25,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene
2025-08-31T09:30:25,619   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
2025-08-31T09:30:25,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:30:25,623   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
2025-08-31T09:30:25,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:30:25,627   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
2025-08-31T09:30:25,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether
2025-08-31T09:30:25,631   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
2025-08-31T09:30:25,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:30:25,635   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
2025-08-31T09:30:25,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3
2025-08-31T09:30:25,639   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
2025-08-31T09:30:25,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS
2025-08-31T09:30:25,643   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
2025-08-31T09:30:25,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:30:25,646   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
2025-08-31T09:30:25,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:30:25,650   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
2025-08-31T09:30:25,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:30:25,654   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
2025-08-31T09:30:25,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph
2025-08-31T09:30:25,658   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
2025-08-31T09:30:25,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:30:25,662   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
2025-08-31T09:30:25,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene
2025-08-31T09:30:25,666   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
2025-08-31T09:30:25,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:30:25,669   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
2025-08-31T09:30:25,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS
2025-08-31T09:30:25,673   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
2025-08-31T09:30:25,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:30:25,677   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
2025-08-31T09:30:25,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:30:25,681   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
2025-08-31T09:30:25,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S
2025-08-31T09:30:25,685   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
2025-08-31T09:30:25,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:30:25,689   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
2025-08-31T09:30:25,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3
2025-08-31T09:30:25,692   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
2025-08-31T09:30:25,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3
2025-08-31T09:30:25,696   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
2025-08-31T09:30:25,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:30:25,700   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
2025-08-31T09:30:25,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:30:25,704   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
2025-08-31T09:30:25,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3
2025-08-31T09:30:25,708   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
2025-08-31T09:30:25,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:30:25,712   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
2025-08-31T09:30:25,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:30:25,716   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
2025-08-31T09:30:25,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:30:25,720   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
2025-08-31T09:30:25,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether
2025-08-31T09:30:25,724   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
2025-08-31T09:30:25,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:30:25,727   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
2025-08-31T09:30:25,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:30:25,731   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
2025-08-31T09:30:25,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O
2025-08-31T09:30:25,735   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
2025-08-31T09:30:25,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:30:25,739   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
2025-08-31T09:30:25,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:30:25,743   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
2025-08-31T09:30:25,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2
2025-08-31T09:30:25,747   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
2025-08-31T09:30:25,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:30:25,751   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
2025-08-31T09:30:25,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21
2025-08-31T09:30:25,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2
2025-08-31T09:30:25,757   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
2025-08-31T09:30:25,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4
2025-08-31T09:30:25,761   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
2025-08-31T09:30:25,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6
2025-08-31T09:30:25,764   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
2025-08-31T09:30:25,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3
2025-08-31T09:30:25,768   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
2025-08-31T09:30:25,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2
2025-08-31T09:30:25,772   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
2025-08-31T09:30:25,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e
2025-08-31T09:30:25,776   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
2025-08-31T09:30:25,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1
2025-08-31T09:30:25,780   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
2025-08-31T09:30:25,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3
2025-08-31T09:30:25,784   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
2025-08-31T09:30:25,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1
2025-08-31T09:30:25,788   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
2025-08-31T09:30:25,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1
2025-08-31T09:30:25,792   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
2025-08-31T09:30:25,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e
2025-08-31T09:30:25,796   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
2025-08-31T09:30:25,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e
2025-08-31T09:30:25,800   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
2025-08-31T09:30:25,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3
2025-08-31T09:30:25,804   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
2025-08-31T09:30:25,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr
2025-08-31T09:30:25,808   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
2025-08-31T09:30:25,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1
2025-08-31T09:30:25,812   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
2025-08-31T09:30:25,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e
2025-08-31T09:30:25,815   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
2025-08-31T09:30:25,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2
2025-08-31T09:30:25,819   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
2025-08-31T09:30:25,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p
2025-08-31T09:30:25,823   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
2025-08-31T09:30:25,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1
2025-08-31T09:30:25,827   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
2025-08-31T09:30:25,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e
2025-08-31T09:30:25,831   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
2025-08-31T09:30:25,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1
2025-08-31T09:30:25,835   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
2025-08-31T09:30:25,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2
2025-08-31T09:30:25,839   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
2025-08-31T09:30:25,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1
2025-08-31T09:30:25,843   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
2025-08-31T09:30:25,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e
2025-08-31T09:30:25,847   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
2025-08-31T09:30:25,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1
2025-08-31T09:30:25,850   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
2025-08-31T09:30:25,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e
2025-08-31T09:30:25,854   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
2025-08-31T09:30:25,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me
2025-08-31T09:30:25,858   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
2025-08-31T09:30:25,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3
2025-08-31T09:30:25,861   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
2025-08-31T09:30:25,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2
2025-08-31T09:30:25,865   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
2025-08-31T09:30:25,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p
2025-08-31T09:30:25,869   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
2025-08-31T09:30:25,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5
2025-08-31T09:30:25,873   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
2025-08-31T09:30:25,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e
2025-08-31T09:30:25,877   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
2025-08-31T09:30:25,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene
2025-08-31T09:30:25,881   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
2025-08-31T09:30:25,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e
2025-08-31T09:30:25,885   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
2025-08-31T09:30:25,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1
2025-08-31T09:30:25,889   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
2025-08-31T09:30:25,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e
2025-08-31T09:30:25,893   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
2025-08-31T09:30:25,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int
2025-08-31T09:30:25,897   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
2025-08-31T09:30:25,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2
2025-08-31T09:30:25,901   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
2025-08-31T09:30:25,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3
2025-08-31T09:30:25,904   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
2025-08-31T09:30:25,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2
2025-08-31T09:30:25,908   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
2025-08-31T09:30:25,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3
2025-08-31T09:30:25,912   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
2025-08-31T09:30:25,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43
2025-08-31T09:30:25,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29
2025-08-31T09:30:25,919   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
2025-08-31T09:30:25,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28
2025-08-31T09:30:25,923   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
2025-08-31T09:30:25,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20
2025-08-31T09:30:25,927   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
2025-08-31T09:30:25,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9
2025-08-31T09:30:25,931   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
2025-08-31T09:30:25,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33
2025-08-31T09:30:25,935   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
2025-08-31T09:30:25,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24
2025-08-31T09:30:25,939   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
2025-08-31T09:30:25,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11
2025-08-31T09:30:25,943   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
2025-08-31T09:30:25,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41
2025-08-31T09:30:25,947   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
2025-08-31T09:30:25,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15
2025-08-31T09:30:25,951   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
2025-08-31T09:30:25,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16
2025-08-31T09:30:25,954   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
2025-08-31T09:30:25,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38
2025-08-31T09:30:25,958   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
2025-08-31T09:30:25,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36
2025-08-31T09:30:25,962   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
2025-08-31T09:30:25,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19
2025-08-31T09:30:25,966   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
2025-08-31T09:30:25,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32
2025-08-31T09:30:25,970   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
2025-08-31T09:30:25,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8
2025-08-31T09:30:25,974   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
2025-08-31T09:30:25,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40
2025-08-31T09:30:25,978   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
2025-08-31T09:30:25,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34
2025-08-31T09:30:25,982   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
2025-08-31T09:30:25,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7
2025-08-31T09:30:25,985   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
2025-08-31T09:30:25,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24
2025-08-31T09:30:25,989   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
2025-08-31T09:30:25,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39
2025-08-31T09:30:25,993   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
2025-08-31T09:30:25,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17
2025-08-31T09:30:25,997   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
2025-08-31T09:30:26,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12
2025-08-31T09:30:26,001   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
2025-08-31T09:30:26,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35
2025-08-31T09:30:26,005   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
2025-08-31T09:30:26,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21
2025-08-31T09:30:26,011   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
2025-08-31T09:30:26,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44
2025-08-31T09:30:26,015   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
2025-08-31T09:30:26,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25
2025-08-31T09:30:26,020   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
2025-08-31T09:30:26,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1
2025-08-31T09:30:26,024   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
2025-08-31T09:30:26,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23
2025-08-31T09:30:26,028   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
2025-08-31T09:30:26,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37
2025-08-31T09:30:26,032   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
2025-08-31T09:30:26,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13
2025-08-31T09:30:26,036   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
2025-08-31T09:30:26,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44
2025-08-31T09:30:26,040   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
2025-08-31T09:30:26,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36
2025-08-31T09:30:26,044   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
2025-08-31T09:30:26,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4
2025-08-31T09:30:26,048   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
2025-08-31T09:30:26,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5
2025-08-31T09:30:26,052   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
2025-08-31T09:30:26,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13
2025-08-31T09:30:26,056   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
2025-08-31T09:30:26,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33
2025-08-31T09:30:26,060   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
2025-08-31T09:30:26,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39
2025-08-31T09:30:26,064   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
2025-08-31T09:30:26,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15
2025-08-31T09:30:26,068   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
2025-08-31T09:30:26,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31
2025-08-31T09:30:26,072   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
2025-08-31T09:30:26,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3
2025-08-31T09:30:26,076   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
2025-08-31T09:30:26,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31
2025-08-31T09:30:26,080   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
2025-08-31T09:30:26,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42
2025-08-31T09:30:26,084   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
2025-08-31T09:30:26,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22
2025-08-31T09:30:26,088   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
2025-08-31T09:30:26,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30
2025-08-31T09:30:26,092   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
2025-08-31T09:30:26,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43
2025-08-31T09:30:26,096   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
2025-08-31T09:30:26,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6
2025-08-31T09:30:26,100   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
2025-08-31T09:30:26,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38
2025-08-31T09:30:26,104   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
2025-08-31T09:30:26,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23
2025-08-31T09:30:26,108   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
2025-08-31T09:30:26,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10
2025-08-31T09:30:26,112   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
2025-08-31T09:30:26,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6
2025-08-31T09:30:26,116   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
2025-08-31T09:30:26,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4
2025-08-31T09:30:26,120   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
2025-08-31T09:30:26,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8
2025-08-31T09:30:26,124   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
2025-08-31T09:30:26,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16
2025-08-31T09:30:26,128   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
2025-08-31T09:30:26,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28
2025-08-31T09:30:26,132   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
2025-08-31T09:30:26,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18
2025-08-31T09:30:26,136   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
2025-08-31T09:30:26,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19
2025-08-31T09:30:26,140   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
2025-08-31T09:30:26,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43
2025-08-31T09:30:26,144   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
2025-08-31T09:30:26,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2
2025-08-31T09:30:26,148   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
2025-08-31T09:30:26,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32
2025-08-31T09:30:26,152   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
2025-08-31T09:30:26,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20
2025-08-31T09:30:26,156   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
2025-08-31T09:30:26,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3
2025-08-31T09:30:26,160   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
2025-08-31T09:30:26,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27
2025-08-31T09:30:26,164   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
2025-08-31T09:30:26,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40
2025-08-31T09:30:26,168   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
2025-08-31T09:30:26,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11
2025-08-31T09:30:26,172   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
2025-08-31T09:30:26,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35
2025-08-31T09:30:26,176   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
2025-08-31T09:30:26,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26
2025-08-31T09:30:26,180   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
2025-08-31T09:30:26,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26
2025-08-31T09:30:26,185   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
2025-08-31T09:30:26,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21
2025-08-31T09:30:26,189   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
2025-08-31T09:30:26,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42
2025-08-31T09:30:26,193   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
2025-08-31T09:30:26,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18
2025-08-31T09:30:26,197   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
2025-08-31T09:30:26,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41
2025-08-31T09:30:26,202   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
2025-08-31T09:30:26,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5
2025-08-31T09:30:26,206   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
2025-08-31T09:30:26,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37
2025-08-31T09:30:26,210   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
2025-08-31T09:30:26,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9
2025-08-31T09:30:26,214   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
2025-08-31T09:30:26,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1
2025-08-31T09:30:26,217   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
2025-08-31T09:30:26,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45
2025-08-31T09:30:26,222   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
2025-08-31T09:30:26,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7
2025-08-31T09:30:26,225   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
2025-08-31T09:30:26,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29
2025-08-31T09:30:26,229   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
2025-08-31T09:30:26,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17
2025-08-31T09:30:26,234   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
2025-08-31T09:30:26,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2
2025-08-31T09:30:26,237   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
2025-08-31T09:30:26,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12
2025-08-31T09:30:26,241   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
2025-08-31T09:30:26,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34
2025-08-31T09:30:26,245   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
2025-08-31T09:30:26,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10
2025-08-31T09:30:26,250   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
2025-08-31T09:30:26,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27
2025-08-31T09:30:26,254   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
2025-08-31T09:30:26,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45
2025-08-31T09:30:26,258   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
2025-08-31T09:30:26,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22
2025-08-31T09:30:26,262   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
2025-08-31T09:30:26,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25
2025-08-31T09:30:26,266   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
2025-08-31T09:30:26,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30
2025-08-31T09:30:26,270   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
2025-08-31T09:30:26,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI
2025-08-31T09:30:26,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:30:26,277   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
2025-08-31T09:30:26,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:30:26,282   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
2025-08-31T09:30:26,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:30:26,286   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
2025-08-31T09:30:26,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6
2025-08-31T09:30:26,291   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
2025-08-31T09:30:26,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5
2025-08-31T09:30:26,295   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
2025-08-31T09:30:26,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2
2025-08-31T09:30:26,299   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
2025-08-31T09:30:26,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:30:26,303   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
2025-08-31T09:30:26,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:30:26,307   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
2025-08-31T09:30:26,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:30:26,311   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
2025-08-31T09:30:26,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:30:26,315   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
2025-08-31T09:30:26,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4
2025-08-31T09:30:26,318   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
2025-08-31T09:30:26,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6
2025-08-31T09:30:26,322   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
2025-08-31T09:30:26,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts
2025-08-31T09:30:26,326   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
2025-08-31T09:30:26,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:30:26,330   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
2025-08-31T09:30:26,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:30:26,334   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
2025-08-31T09:30:26,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5
2025-08-31T09:30:26,337   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
2025-08-31T09:30:26,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts
2025-08-31T09:30:26,341   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
2025-08-31T09:30:26,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:30:26,345   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
2025-08-31T09:30:26,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:30:26,349   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
2025-08-31T09:30:26,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9
2025-08-31T09:30:26,353   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
2025-08-31T09:30:26,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts
2025-08-31T09:30:26,356   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
2025-08-31T09:30:26,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts
2025-08-31T09:30:26,361   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
2025-08-31T09:30:26,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8
2025-08-31T09:30:26,364   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
2025-08-31T09:30:26,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:30:26,368   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
2025-08-31T09:30:26,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts
2025-08-31T09:30:26,372   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
2025-08-31T09:30:26,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r
2025-08-31T09:30:26,376   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
2025-08-31T09:30:26,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:30:26,380   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
2025-08-31T09:30:26,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:30:26,383   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
2025-08-31T09:30:26,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r
2025-08-31T09:30:26,387   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
2025-08-31T09:30:26,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3
2025-08-31T09:30:26,391   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
2025-08-31T09:30:26,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts
2025-08-31T09:30:26,395   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
2025-08-31T09:30:26,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts
2025-08-31T09:30:26,399   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
2025-08-31T09:30:26,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts
2025-08-31T09:30:26,402   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
2025-08-31T09:30:26,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:30:26,406   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
2025-08-31T09:30:26,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r
2025-08-31T09:30:26,410   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
2025-08-31T09:30:26,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10
2025-08-31T09:30:26,413   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
2025-08-31T09:30:26,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:30:26,417   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
2025-08-31T09:30:26,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r
2025-08-31T09:30:26,421   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
2025-08-31T09:30:26,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r
2025-08-31T09:30:26,425   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
2025-08-31T09:30:26,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:30:26,428   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
2025-08-31T09:30:26,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:30:26,432   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
2025-08-31T09:30:26,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r
2025-08-31T09:30:26,436   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
2025-08-31T09:30:26,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r
2025-08-31T09:30:26,441   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
2025-08-31T09:30:26,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4
2025-08-31T09:30:26,445   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
2025-08-31T09:30:26,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r
2025-08-31T09:30:26,448   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
2025-08-31T09:30:26,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1
2025-08-31T09:30:26,452   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
2025-08-31T09:30:26,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7
2025-08-31T09:30:26,456   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
2025-08-31T09:30:26,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:30:26,459   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
2025-08-31T09:30:26,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2
2025-08-31T09:30:26,463   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
2025-08-31T09:30:26,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11
2025-08-31T09:30:26,467   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
2025-08-31T09:30:26,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:30:26,471   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
2025-08-31T09:30:26,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:30:26,475   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
2025-08-31T09:30:26,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:30:26,479   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
2025-08-31T09:30:26,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9
2025-08-31T09:30:26,483   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
2025-08-31T09:30:26,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1
2025-08-31T09:30:26,487   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
2025-08-31T09:30:26,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts
2025-08-31T09:30:26,490   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
2025-08-31T09:30:26,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:30:26,494   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
2025-08-31T09:30:26,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7
2025-08-31T09:30:26,498   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
2025-08-31T09:30:26,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:30:26,502   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
2025-08-31T09:30:26,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3
2025-08-31T09:30:26,506   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
2025-08-31T09:30:26,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8
2025-08-31T09:30:26,510   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
2025-08-31T09:30:26,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4
2025-08-31T09:30:26,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:30:26,516   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
2025-08-31T09:30:26,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:30:26,520   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
2025-08-31T09:30:26,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:30:26,524   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
2025-08-31T09:30:26,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:30:26,527   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
2025-08-31T09:30:26,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:30:26,531   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
2025-08-31T09:30:26,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h
2025-08-31T09:30:26,535   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
2025-08-31T09:30:26,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:30:26,539   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
2025-08-31T09:30:26,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:30:26,543   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+
2025-08-31T09:30:26,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:30:26,546   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
2025-08-31T09:30:26,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:30:26,550   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
2025-08-31T09:30:26,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:30:26,554   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
2025-08-31T09:30:26,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o
2025-08-31T09:30:26,558   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
2025-08-31T09:30:26,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:30:26,561   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
2025-08-31T09:30:26,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:30:26,565   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
2025-08-31T09:30:26,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:30:26,569   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
2025-08-31T09:30:26,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:30:26,573   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
2025-08-31T09:30:26,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:30:26,577   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
2025-08-31T09:30:26,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+
2025-08-31T09:30:26,581   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+
2025-08-31T09:30:26,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:30:26,585   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
2025-08-31T09:30:26,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:30:26,589   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
2025-08-31T09:30:26,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:30:26,592   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+
2025-08-31T09:30:26,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3
2025-08-31T09:30:26,596   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
2025-08-31T09:30:26,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he
2025-08-31T09:30:26,600   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
2025-08-31T09:30:26,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP
2025-08-31T09:30:26,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f
2025-08-31T09:30:26,606   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
2025-08-31T09:30:26,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2
2025-08-31T09:30:26,611   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
2025-08-31T09:30:26,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l
2025-08-31T09:30:26,614   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
2025-08-31T09:30:26,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer
2025-08-31T09:30:26,618   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
2025-08-31T09:30:26,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant
2025-08-31T09:30:26,622   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
2025-08-31T09:30:26,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene
2025-08-31T09:30:26,626   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
2025-08-31T09:30:26,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1
2025-08-31T09:30:26,630   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
2025-08-31T09:30:26,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22
2025-08-31T09:30:26,634   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
2025-08-31T09:30:26,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l
2025-08-31T09:30:26,638   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
2025-08-31T09:30:26,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1
2025-08-31T09:30:26,641   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
2025-08-31T09:30:26,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2
2025-08-31T09:30:26,645   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
2025-08-31T09:30:26,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f
2025-08-31T09:30:26,649   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
2025-08-31T09:30:26,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2
2025-08-31T09:30:26,653   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
2025-08-31T09:30:26,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL
2025-08-31T09:30:26,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:30:26,660   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
2025-08-31T09:30:26,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:30:26,664   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
2025-08-31T09:30:26,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:30:26,668   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
2025-08-31T09:30:26,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:30:26,672   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
2025-08-31T09:30:26,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:30:26,676   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
2025-08-31T09:30:26,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:30:26,681   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
2025-08-31T09:30:26,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:30:26,684   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
2025-08-31T09:30:26,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:30:26,689   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
2025-08-31T09:30:26,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:30:26,692   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
2025-08-31T09:30:26,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:30:26,696   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
2025-08-31T09:30:26,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:30:26,700   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
2025-08-31T09:30:26,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:30:26,704   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
2025-08-31T09:30:26,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:30:26,708   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
2025-08-31T09:30:26,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:30:26,711   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
2025-08-31T09:30:26,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:30:26,715   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
2025-08-31T09:30:26,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:30:26,719   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
2025-08-31T09:30:26,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:30:26,723   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
2025-08-31T09:30:26,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:30:26,727   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
2025-08-31T09:30:26,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:30:26,731   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
2025-08-31T09:30:26,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:30:26,735   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
2025-08-31T09:30:26,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:30:26,739   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
2025-08-31T09:30:26,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:30:26,743   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
2025-08-31T09:30:26,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:30:26,747   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
2025-08-31T09:30:26,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:30:26,751   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
2025-08-31T09:30:26,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:30:26,754   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
2025-08-31T09:30:26,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:30:26,758   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
2025-08-31T09:30:26,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:30:26,762   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
2025-08-31T09:30:26,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:30:26,766   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
2025-08-31T09:30:26,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:30:26,770   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
2025-08-31T09:30:26,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:30:26,774   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
2025-08-31T09:30:26,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:30:26,778   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
2025-08-31T09:30:26,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:30:26,782   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
2025-08-31T09:30:26,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:30:26,786   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
2025-08-31T09:30:26,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:30:26,790   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
2025-08-31T09:30:26,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:30:26,794   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
2025-08-31T09:30:26,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:30:26,797   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
2025-08-31T09:30:26,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:30:26,801   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
2025-08-31T09:30:26,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:30:26,805   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
2025-08-31T09:30:26,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:30:26,809   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
2025-08-31T09:30:26,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:30:26,813   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
2025-08-31T09:30:26,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:30:26,817   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
2025-08-31T09:30:26,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:30:26,821   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
2025-08-31T09:30:26,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:30:26,824   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
2025-08-31T09:30:26,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:30:26,828   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
2025-08-31T09:30:26,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:30:26,832   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
2025-08-31T09:30:26,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:30:26,836   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
2025-08-31T09:30:26,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:30:26,840   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
2025-08-31T09:30:26,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:30:26,843   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
2025-08-31T09:30:26,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:30:26,847   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
2025-08-31T09:30:26,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:30:26,851   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
2025-08-31T09:30:26,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:30:26,855   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
2025-08-31T09:30:26,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:30:26,859   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
2025-08-31T09:30:26,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:30:26,863   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
2025-08-31T09:30:26,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:30:26,866   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
2025-08-31T09:30:26,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:30:26,870   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
2025-08-31T09:30:26,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:30:26,874   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
2025-08-31T09:30:26,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:30:26,878   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
2025-08-31T09:30:26,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:30:26,881   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
2025-08-31T09:30:26,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:30:26,885   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
2025-08-31T09:30:26,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:30:26,889   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
2025-08-31T09:30:26,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:30:26,893   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
2025-08-31T09:30:26,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:30:26,897   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
2025-08-31T09:30:26,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:30:26,901   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
2025-08-31T09:30:26,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:30:26,904   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
2025-08-31T09:30:26,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:30:26,908   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
2025-08-31T09:30:26,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10
2025-08-31T09:30:26,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li
2025-08-31T09:30:26,914   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
2025-08-31T09:30:26,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio
2025-08-31T09:30:26,918   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
2025-08-31T09:30:26,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h
2025-08-31T09:30:26,922   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
2025-08-31T09:30:26,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif
2025-08-31T09:30:26,925   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
2025-08-31T09:30:26,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s
2025-08-31T09:30:26,929   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
2025-08-31T09:30:26,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na
2025-08-31T09:30:26,933   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
2025-08-31T09:30:26,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo
2025-08-31T09:30:26,936   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
2025-08-31T09:30:26,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg
2025-08-31T09:30:26,940   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
2025-08-31T09:30:26,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k
2025-08-31T09:30:26,944   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
2025-08-31T09:30:26,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o
2025-08-31T09:30:26,948   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
2025-08-31T09:30:26,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf
2025-08-31T09:30:26,951   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
2025-08-31T09:30:26,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be
2025-08-31T09:30:26,955   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
2025-08-31T09:30:26,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao
2025-08-31T09:30:26,959   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
2025-08-31T09:30:26,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:30:26,963   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
2025-08-31T09:30:26,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f
2025-08-31T09:30:26,966   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
2025-08-31T09:30:26,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf
2025-08-31T09:30:26,970   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
2025-08-31T09:30:26,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:30:26,974   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
2025-08-31T09:30:26,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao
2025-08-31T09:30:26,977   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
2025-08-31T09:30:26,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca
2025-08-31T09:30:26,981   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
2025-08-31T09:30:26,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef
2025-08-31T09:30:26,985   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
2025-08-31T09:30:26,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF
2025-08-31T09:30:26,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg
2025-08-31T09:30:26,990   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
2025-08-31T09:30:26,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:30:26,995   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+
2025-08-31T09:30:26,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:30:26,999   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-
2025-08-31T09:30:27,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt
2025-08-31T09:30:27,004   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
2025-08-31T09:30:27,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX
2025-08-31T09:30:27,008   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
2025-08-31T09:30:27,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG
2025-08-31T09:30:27,011   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
2025-08-31T09:30:27,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:30:27,015   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-
2025-08-31T09:30:27,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt
2025-08-31T09:30:27,019   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
2025-08-31T09:30:27,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:30:27,023   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-
2025-08-31T09:30:27,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt
2025-08-31T09:30:27,027   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
2025-08-31T09:30:27,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:30:27,032   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-
2025-08-31T09:30:27,034   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG
2025-08-31T09:30:27,035   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
2025-08-31T09:30:27,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T
2025-08-31T09:30:27,039   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
2025-08-31T09:30:27,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT
2025-08-31T09:30:27,043   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
2025-08-31T09:30:27,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:30:27,047   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+
2025-08-31T09:30:27,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg
2025-08-31T09:30:27,051   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
2025-08-31T09:30:27,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G
2025-08-31T09:30:27,055   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
2025-08-31T09:30:27,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg
2025-08-31T09:30:27,059   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
2025-08-31T09:30:27,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23
2025-08-31T09:30:27,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23
2025-08-31T09:30:27,066   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
2025-08-31T09:30:27,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11
2025-08-31T09:30:27,073   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
2025-08-31T09:30:27,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b
2025-08-31T09:30:27,077   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
2025-08-31T09:30:27,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15
2025-08-31T09:30:27,081   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
2025-08-31T09:30:27,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a
2025-08-31T09:30:27,085   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
2025-08-31T09:30:27,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a
2025-08-31T09:30:27,089   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
2025-08-31T09:30:27,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20
2025-08-31T09:30:27,093   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
2025-08-31T09:30:27,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6
2025-08-31T09:30:27,097   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
2025-08-31T09:30:27,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b
2025-08-31T09:30:27,101   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
2025-08-31T09:30:27,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b
2025-08-31T09:30:27,105   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
2025-08-31T09:30:27,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8
2025-08-31T09:30:27,110   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
2025-08-31T09:30:27,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9
2025-08-31T09:30:27,113   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
2025-08-31T09:30:27,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b
2025-08-31T09:30:27,117   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
2025-08-31T09:30:27,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a
2025-08-31T09:30:27,120   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
2025-08-31T09:30:27,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a
2025-08-31T09:30:27,124   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
2025-08-31T09:30:27,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a
2025-08-31T09:30:27,129   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
2025-08-31T09:30:27,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14
2025-08-31T09:30:27,132   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
2025-08-31T09:30:27,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b
2025-08-31T09:30:27,136   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
2025-08-31T09:30:27,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22
2025-08-31T09:30:27,140   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
2025-08-31T09:30:27,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b
2025-08-31T09:30:27,144   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
2025-08-31T09:30:27,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b
2025-08-31T09:30:27,148   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
2025-08-31T09:30:27,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a
2025-08-31T09:30:27,151   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
2025-08-31T09:30:27,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a
2025-08-31T09:30:27,155   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
2025-08-31T09:30:27,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a
2025-08-31T09:30:27,159   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
2025-08-31T09:30:27,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b
2025-08-31T09:30:27,163   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
2025-08-31T09:30:27,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a
2025-08-31T09:30:27,166   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
2025-08-31T09:30:27,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2
2025-08-31T09:30:27,171   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
2025-08-31T09:30:27,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19
2025-08-31T09:30:27,174   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
2025-08-31T09:30:27,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a
2025-08-31T09:30:27,178   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
2025-08-31T09:30:27,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b
2025-08-31T09:30:27,185   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
2025-08-31T09:30:27,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16
2025-08-31T09:30:27,190   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
2025-08-31T09:30:27,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b
2025-08-31T09:30:27,193   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
2025-08-31T09:30:27,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a
2025-08-31T09:30:27,198   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
2025-08-31T09:30:27,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1
2025-08-31T09:30:27,202   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
2025-08-31T09:30:27,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b
2025-08-31T09:30:27,206   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
2025-08-31T09:30:27,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a
2025-08-31T09:30:27,210   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
2025-08-31T09:30:27,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b
2025-08-31T09:30:27,214   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
2025-08-31T09:30:27,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a
2025-08-31T09:30:27,218   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
2025-08-31T09:30:27,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a
2025-08-31T09:30:27,222   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
2025-08-31T09:30:27,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b
2025-08-31T09:30:27,226   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
2025-08-31T09:30:27,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10
2025-08-31T09:30:27,230   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
2025-08-31T09:30:27,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5
2025-08-31T09:30:27,234   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
2025-08-31T09:30:27,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a
2025-08-31T09:30:27,238   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
2025-08-31T09:30:27,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b
2025-08-31T09:30:27,242   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
2025-08-31T09:30:27,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b
2025-08-31T09:30:27,245   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
2025-08-31T09:30:27,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b
2025-08-31T09:30:27,250   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
2025-08-31T09:30:27,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b
2025-08-31T09:30:27,253   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
2025-08-31T09:30:27,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a
2025-08-31T09:30:27,257   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
2025-08-31T09:30:27,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a
2025-08-31T09:30:27,261   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
2025-08-31T09:30:27,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12
2025-08-31T09:30:27,265   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
2025-08-31T09:30:27,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a
2025-08-31T09:30:27,269   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
2025-08-31T09:30:27,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a
2025-08-31T09:30:27,272   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
2025-08-31T09:30:27,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13
2025-08-31T09:30:27,276   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
2025-08-31T09:30:27,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b
2025-08-31T09:30:27,280   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
2025-08-31T09:30:27,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a
2025-08-31T09:30:27,284   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
2025-08-31T09:30:27,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a
2025-08-31T09:30:27,288   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
2025-08-31T09:30:27,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18
2025-08-31T09:30:27,292   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
2025-08-31T09:30:27,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7
2025-08-31T09:30:27,296   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
2025-08-31T09:30:27,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b
2025-08-31T09:30:27,300   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
2025-08-31T09:30:27,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a
2025-08-31T09:30:27,305   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
2025-08-31T09:30:27,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b
2025-08-31T09:30:27,309   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
2025-08-31T09:30:27,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21
2025-08-31T09:30:27,313   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
2025-08-31T09:30:27,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b
2025-08-31T09:30:27,317   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
2025-08-31T09:30:27,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3
2025-08-31T09:30:27,321   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
2025-08-31T09:30:27,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a
2025-08-31T09:30:27,324   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
2025-08-31T09:30:27,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b
2025-08-31T09:30:27,328   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
2025-08-31T09:30:27,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4
2025-08-31T09:30:27,332   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
2025-08-31T09:30:27,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17
2025-08-31T09:30:27,336   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
2025-08-31T09:30:27,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b
2025-08-31T09:30:27,340   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
2025-08-31T09:30:27,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16
2025-08-31T09:30:27,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A
2025-08-31T09:30:27,347   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
2025-08-31T09:30:27,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228
2025-08-31T09:30:27,352   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
2025-08-31T09:30:27,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213
2025-08-31T09:30:27,356   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
2025-08-31T09:30:27,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B
2025-08-31T09:30:27,360   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
2025-08-31T09:30:27,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A
2025-08-31T09:30:27,364   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
2025-08-31T09:30:27,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B
2025-08-31T09:30:27,368   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
2025-08-31T09:30:27,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B
2025-08-31T09:30:27,372   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
2025-08-31T09:30:27,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A
2025-08-31T09:30:27,376   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
2025-08-31T09:30:27,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A
2025-08-31T09:30:27,380   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
2025-08-31T09:30:27,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212
2025-08-31T09:30:27,384   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
2025-08-31T09:30:27,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B
2025-08-31T09:30:27,388   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
2025-08-31T09:30:27,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202
2025-08-31T09:30:27,392   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
2025-08-31T09:30:27,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152
2025-08-31T09:30:27,396   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
2025-08-31T09:30:27,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B
2025-08-31T09:30:27,400   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
2025-08-31T09:30:27,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B
2025-08-31T09:30:27,404   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
2025-08-31T09:30:27,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008
2025-08-31T09:30:27,408   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
2025-08-31T09:30:27,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A
2025-08-31T09:30:27,412   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
2025-08-31T09:30:27,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A
2025-08-31T09:30:27,416   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
2025-08-31T09:30:27,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150
2025-08-31T09:30:27,419   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
2025-08-31T09:30:27,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A
2025-08-31T09:30:27,423   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
2025-08-31T09:30:27,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B
2025-08-31T09:30:27,427   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
2025-08-31T09:30:27,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A
2025-08-31T09:30:27,431   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
2025-08-31T09:30:27,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B
2025-08-31T09:30:27,435   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
2025-08-31T09:30:27,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B
2025-08-31T09:30:27,439   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
2025-08-31T09:30:27,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A
2025-08-31T09:30:27,443   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
2025-08-31T09:30:27,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B
2025-08-31T09:30:27,447   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
2025-08-31T09:30:27,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230
2025-08-31T09:30:27,450   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
2025-08-31T09:30:27,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A
2025-08-31T09:30:27,454   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
2025-08-31T09:30:27,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B
2025-08-31T09:30:27,458   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
2025-08-31T09:30:27,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229
2025-08-31T09:30:27,462   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
2025-08-31T09:30:27,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B
2025-08-31T09:30:27,465   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
2025-08-31T09:30:27,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144
2025-08-31T09:30:27,469   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
2025-08-31T09:30:27,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147
2025-08-31T09:30:27,473   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
2025-08-31T09:30:27,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B
2025-08-31T09:30:27,477   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
2025-08-31T09:30:27,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A
2025-08-31T09:30:27,480   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
2025-08-31T09:30:27,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227
2025-08-31T09:30:27,484   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
2025-08-31T09:30:27,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148
2025-08-31T09:30:27,488   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
2025-08-31T09:30:27,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B
2025-08-31T09:30:27,491   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
2025-08-31T09:30:27,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A
2025-08-31T09:30:27,495   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
2025-08-31T09:30:27,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187
2025-08-31T09:30:27,499   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
2025-08-31T09:30:27,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A
2025-08-31T09:30:27,503   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
2025-08-31T09:30:27,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A
2025-08-31T09:30:27,507   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
2025-08-31T09:30:27,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214
2025-08-31T09:30:27,511   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
2025-08-31T09:30:27,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B
2025-08-31T09:30:27,515   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
2025-08-31T09:30:27,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A
2025-08-31T09:30:27,519   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
2025-08-31T09:30:27,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231
2025-08-31T09:30:27,522   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
2025-08-31T09:30:27,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B
2025-08-31T09:30:27,554   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
2025-08-31T09:30:27,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A
2025-08-31T09:30:27,560   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
2025-08-31T09:30:27,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21
2025-08-31T09:30:27,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A
2025-08-31T09:30:27,569   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
2025-08-31T09:30:27,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B
2025-08-31T09:30:27,574   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
2025-08-31T09:30:27,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A
2025-08-31T09:30:27,578   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
2025-08-31T09:30:27,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11
2025-08-31T09:30:27,583   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
2025-08-31T09:30:27,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B
2025-08-31T09:30:27,587   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
2025-08-31T09:30:27,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A
2025-08-31T09:30:27,591   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
2025-08-31T09:30:27,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A
2025-08-31T09:30:27,595   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
2025-08-31T09:30:27,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A
2025-08-31T09:30:27,599   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
2025-08-31T09:30:27,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B
2025-08-31T09:30:27,603   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
2025-08-31T09:30:27,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15
2025-08-31T09:30:27,607   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
2025-08-31T09:30:27,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A
2025-08-31T09:30:27,611   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
2025-08-31T09:30:27,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A
2025-08-31T09:30:27,615   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
2025-08-31T09:30:27,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20
2025-08-31T09:30:27,619   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
2025-08-31T09:30:27,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6
2025-08-31T09:30:27,624   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
2025-08-31T09:30:27,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A
2025-08-31T09:30:27,628   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
2025-08-31T09:30:27,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8
2025-08-31T09:30:27,632   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
2025-08-31T09:30:27,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9
2025-08-31T09:30:27,636   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
2025-08-31T09:30:27,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B
2025-08-31T09:30:27,640   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
2025-08-31T09:30:27,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B
2025-08-31T09:30:27,644   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
2025-08-31T09:30:27,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B
2025-08-31T09:30:27,648   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
2025-08-31T09:30:27,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A
2025-08-31T09:30:27,652   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
2025-08-31T09:30:27,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14
2025-08-31T09:30:27,656   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
2025-08-31T09:30:27,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B
2025-08-31T09:30:27,660   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
2025-08-31T09:30:27,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A
2025-08-31T09:30:27,664   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
2025-08-31T09:30:27,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B
2025-08-31T09:30:27,669   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
2025-08-31T09:30:27,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A
2025-08-31T09:30:27,673   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
2025-08-31T09:30:27,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B
2025-08-31T09:30:27,677   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
2025-08-31T09:30:27,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A
2025-08-31T09:30:27,681   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
2025-08-31T09:30:27,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A
2025-08-31T09:30:27,685   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
2025-08-31T09:30:27,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B
2025-08-31T09:30:27,689   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
2025-08-31T09:30:27,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B
2025-08-31T09:30:27,693   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
2025-08-31T09:30:27,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B
2025-08-31T09:30:27,697   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
2025-08-31T09:30:27,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2
2025-08-31T09:30:27,702   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
2025-08-31T09:30:27,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19
2025-08-31T09:30:27,707   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
2025-08-31T09:30:27,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B
2025-08-31T09:30:27,711   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
2025-08-31T09:30:27,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B
2025-08-31T09:30:27,715   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
2025-08-31T09:30:27,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16
2025-08-31T09:30:27,719   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
2025-08-31T09:30:27,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1
2025-08-31T09:30:27,723   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
2025-08-31T09:30:27,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B
2025-08-31T09:30:27,726   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
2025-08-31T09:30:27,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B
2025-08-31T09:30:27,730   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
2025-08-31T09:30:27,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B
2025-08-31T09:30:27,735   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
2025-08-31T09:30:27,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A
2025-08-31T09:30:27,739   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
2025-08-31T09:30:27,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B
2025-08-31T09:30:27,743   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
2025-08-31T09:30:27,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A
2025-08-31T09:30:27,747   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
2025-08-31T09:30:27,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10
2025-08-31T09:30:27,751   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
2025-08-31T09:30:27,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5
2025-08-31T09:30:27,754   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
2025-08-31T09:30:27,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A
2025-08-31T09:30:27,759   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
2025-08-31T09:30:27,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A
2025-08-31T09:30:27,762   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
2025-08-31T09:30:27,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A
2025-08-31T09:30:27,767   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
2025-08-31T09:30:27,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12
2025-08-31T09:30:27,771   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
2025-08-31T09:30:27,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13
2025-08-31T09:30:27,775   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
2025-08-31T09:30:27,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18
2025-08-31T09:30:27,779   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
2025-08-31T09:30:27,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7
2025-08-31T09:30:27,783   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
2025-08-31T09:30:27,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B
2025-08-31T09:30:27,787   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
2025-08-31T09:30:27,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B
2025-08-31T09:30:27,791   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
2025-08-31T09:30:27,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A
2025-08-31T09:30:27,795   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
2025-08-31T09:30:27,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21
2025-08-31T09:30:27,799   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
2025-08-31T09:30:27,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B
2025-08-31T09:30:27,803   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
2025-08-31T09:30:27,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3
2025-08-31T09:30:27,807   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
2025-08-31T09:30:27,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A
2025-08-31T09:30:27,811   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
2025-08-31T09:30:27,814   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A
2025-08-31T09:30:27,815   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
2025-08-31T09:30:27,818   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4
2025-08-31T09:30:27,819   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
2025-08-31T09:30:27,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17
2025-08-31T09:30:27,823   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
2025-08-31T09:30:27,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC
2025-08-31T09:30:27,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:30:27,829   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
2025-08-31T09:30:27,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3
2025-08-31T09:30:27,833   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
2025-08-31T09:30:27,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F
2025-08-31T09:30:27,837   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
2025-08-31T09:30:27,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut
2025-08-31T09:30:27,841   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
2025-08-31T09:30:27,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:30:27,845   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
2025-08-31T09:30:27,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2
2025-08-31T09:30:27,849   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
2025-08-31T09:30:27,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H
2025-08-31T09:30:27,852   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
2025-08-31T09:30:27,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz
2025-08-31T09:30:27,856   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
2025-08-31T09:30:27,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3
2025-08-31T09:30:27,860   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
2025-08-31T09:30:27,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:30:27,864   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
2025-08-31T09:30:27,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:30:27,868   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
2025-08-31T09:30:27,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3
2025-08-31T09:30:27,872   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
2025-08-31T09:30:27,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:30:27,876   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
2025-08-31T09:30:27,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3
2025-08-31T09:30:27,880   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
2025-08-31T09:30:27,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch
2025-08-31T09:30:27,883   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
2025-08-31T09:30:27,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2
2025-08-31T09:30:27,887   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
2025-08-31T09:30:27,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3
2025-08-31T09:30:27,891   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
2025-08-31T09:30:27,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:30:27,896   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
2025-08-31T09:30:27,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3
2025-08-31T09:30:27,900   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
2025-08-31T09:30:27,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:30:27,904   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
2025-08-31T09:30:27,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3
2025-08-31T09:30:27,908   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
2025-08-31T09:30:27,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8
2025-08-31T09:30:27,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:30:27,914   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
2025-08-31T09:30:27,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8
2025-08-31T09:30:27,918   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
2025-08-31T09:30:27,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c
2025-08-31T09:30:27,922   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
2025-08-31T09:30:27,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:30:27,926   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
2025-08-31T09:30:27,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+
2025-08-31T09:30:27,930   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+
2025-08-31T09:30:27,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:30:27,933   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
2025-08-31T09:30:27,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2
2025-08-31T09:30:27,937   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
2025-08-31T09:30:27,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:30:27,941   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
2025-08-31T09:30:27,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4
2025-08-31T09:30:27,945   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
2025-08-31T09:30:27,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8
2025-08-31T09:30:27,949   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
2025-08-31T09:30:27,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+
2025-08-31T09:30:27,953   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+
2025-08-31T09:30:27,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch
2025-08-31T09:30:27,956   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
2025-08-31T09:30:27,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2
2025-08-31T09:30:27,960   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
2025-08-31T09:30:27,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me
2025-08-31T09:30:27,964   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
2025-08-31T09:30:27,966   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me
2025-08-31T09:30:27,968   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
2025-08-31T09:30:27,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2
2025-08-31T09:30:27,972   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
2025-08-31T09:30:27,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h
2025-08-31T09:30:27,976   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
2025-08-31T09:30:27,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6
2025-08-31T09:30:27,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3
2025-08-31T09:30:27,981   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
2025-08-31T09:30:27,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6
2025-08-31T09:30:27,985   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
2025-08-31T09:30:27,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:30:27,989   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
2025-08-31T09:30:27,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2
2025-08-31T09:30:27,993   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
2025-08-31T09:30:27,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6
2025-08-31T09:30:27,996   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
2025-08-31T09:30:27,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3
2025-08-31T09:30:28,000   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
2025-08-31T09:30:28,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4
2025-08-31T09:30:28,004   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
2025-08-31T09:30:28,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3
2025-08-31T09:30:28,008   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
2025-08-31T09:30:28,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6
2025-08-31T09:30:28,012   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
2025-08-31T09:30:28,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5
2025-08-31T09:30:28,015   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
2025-08-31T09:30:28,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3
2025-08-31T09:30:28,019   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
2025-08-31T09:30:28,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18
2025-08-31T09:30:28,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:30:28,026   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
2025-08-31T09:30:28,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:30:28,029   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
2025-08-31T09:30:28,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:30:28,033   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
2025-08-31T09:30:28,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:30:28,037   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
2025-08-31T09:30:28,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s
2025-08-31T09:30:28,041   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
2025-08-31T09:30:28,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:30:28,044   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
2025-08-31T09:30:28,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:30:28,048   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
2025-08-31T09:30:28,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2
2025-08-31T09:30:28,052   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
2025-08-31T09:30:28,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:30:28,055   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
2025-08-31T09:30:28,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:30:28,059   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
2025-08-31T09:30:28,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3
2025-08-31T09:30:28,063   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
2025-08-31T09:30:28,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3
2025-08-31T09:30:28,067   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
2025-08-31T09:30:28,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:30:28,071   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
2025-08-31T09:30:28,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:30:28,075   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
2025-08-31T09:30:28,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:30:28,079   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
2025-08-31T09:30:28,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3
2025-08-31T09:30:28,083   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
2025-08-31T09:30:28,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:30:28,086   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
2025-08-31T09:30:28,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:30:28,090   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
2025-08-31T09:30:28,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:30:28,094   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
2025-08-31T09:30:28,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s
2025-08-31T09:30:28,097   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
2025-08-31T09:30:28,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3
2025-08-31T09:30:28,101   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
2025-08-31T09:30:28,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:30:28,105   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
2025-08-31T09:30:28,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:30:28,109   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
2025-08-31T09:30:28,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:30:28,112   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
2025-08-31T09:30:28,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3
2025-08-31T09:30:28,116   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
2025-08-31T09:30:28,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22
2025-08-31T09:30:28,120   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
2025-08-31T09:30:28,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:30:28,124   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
2025-08-31T09:30:28,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s
2025-08-31T09:30:28,128   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
2025-08-31T09:30:28,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3
2025-08-31T09:30:28,132   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
2025-08-31T09:30:28,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76
2025-08-31T09:30:28,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH
2025-08-31T09:30:28,139   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
2025-08-31T09:30:28,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl
2025-08-31T09:30:28,143   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
2025-08-31T09:30:28,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02
2025-08-31T09:30:28,146   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
2025-08-31T09:30:28,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:30:28,151   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
2025-08-31T09:30:28,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o
2025-08-31T09:30:28,154   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
2025-08-31T09:30:28,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2
2025-08-31T09:30:28,158   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
2025-08-31T09:30:28,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05
2025-08-31T09:30:28,162   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
2025-08-31T09:30:28,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08
2025-08-31T09:30:28,166   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
2025-08-31T09:30:28,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18
2025-08-31T09:30:28,170   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
2025-08-31T09:30:28,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h
2025-08-31T09:30:28,173   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
2025-08-31T09:30:28,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts
2025-08-31T09:30:28,177   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
2025-08-31T09:30:28,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06
2025-08-31T09:30:28,181   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
2025-08-31T09:30:28,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2
2025-08-31T09:30:28,185   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
2025-08-31T09:30:28,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts
2025-08-31T09:30:28,189   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
2025-08-31T09:30:28,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5
2025-08-31T09:30:28,193   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
2025-08-31T09:30:28,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15
2025-08-31T09:30:28,196   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
2025-08-31T09:30:28,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts
2025-08-31T09:30:28,201   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
2025-08-31T09:30:28,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts
2025-08-31T09:30:28,204   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
2025-08-31T09:30:28,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc
2025-08-31T09:30:28,208   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
2025-08-31T09:30:28,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf
2025-08-31T09:30:28,212   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
2025-08-31T09:30:28,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts
2025-08-31T09:30:28,216   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
2025-08-31T09:30:28,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco
2025-08-31T09:30:28,220   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
2025-08-31T09:30:28,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4
2025-08-31T09:30:28,224   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
2025-08-31T09:30:28,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14
2025-08-31T09:30:28,228   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
2025-08-31T09:30:28,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh
2025-08-31T09:30:28,232   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
2025-08-31T09:30:28,234   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13
2025-08-31T09:30:28,235   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
2025-08-31T09:30:28,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:30:28,239   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
2025-08-31T09:30:28,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09
2025-08-31T09:30:28,243   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
2025-08-31T09:30:28,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf
2025-08-31T09:30:28,247   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
2025-08-31T09:30:28,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2
2025-08-31T09:30:28,251   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
2025-08-31T09:30:28,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2
2025-08-31T09:30:28,255   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
2025-08-31T09:30:28,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07
2025-08-31T09:30:28,259   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
2025-08-31T09:30:28,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8
2025-08-31T09:30:28,263   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
2025-08-31T09:30:28,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts
2025-08-31T09:30:28,266   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
2025-08-31T09:30:28,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10
2025-08-31T09:30:28,270   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
2025-08-31T09:30:28,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts
2025-08-31T09:30:28,274   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
2025-08-31T09:30:28,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts
2025-08-31T09:30:28,278   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
2025-08-31T09:30:28,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:30:28,282   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
2025-08-31T09:30:28,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts
2025-08-31T09:30:28,285   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
2025-08-31T09:30:28,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2
2025-08-31T09:30:28,289   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
2025-08-31T09:30:28,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl
2025-08-31T09:30:28,293   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
2025-08-31T09:30:28,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f
2025-08-31T09:30:28,297   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
2025-08-31T09:30:28,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19
2025-08-31T09:30:28,301   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
2025-08-31T09:30:28,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts
2025-08-31T09:30:28,304   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
2025-08-31T09:30:28,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03
2025-08-31T09:30:28,308   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
2025-08-31T09:30:28,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts
2025-08-31T09:30:28,312   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
2025-08-31T09:30:28,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3
2025-08-31T09:30:28,316   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
2025-08-31T09:30:28,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16
2025-08-31T09:30:28,320   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
2025-08-31T09:30:28,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3
2025-08-31T09:30:28,324   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
2025-08-31T09:30:28,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12
2025-08-31T09:30:28,327   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
2025-08-31T09:30:28,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6
2025-08-31T09:30:28,331   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
2025-08-31T09:30:28,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:30:28,334   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
2025-08-31T09:30:28,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S
2025-08-31T09:30:28,339   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
2025-08-31T09:30:28,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01
2025-08-31T09:30:28,343   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
2025-08-31T09:30:28,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O
2025-08-31T09:30:28,346   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
2025-08-31T09:30:28,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04
2025-08-31T09:30:28,350   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
2025-08-31T09:30:28,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20
2025-08-31T09:30:28,354   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
2025-08-31T09:30:28,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts
2025-08-31T09:30:28,359   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
2025-08-31T09:30:28,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7
2025-08-31T09:30:28,363   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
2025-08-31T09:30:28,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H
2025-08-31T09:30:28,366   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
2025-08-31T09:30:28,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-
2025-08-31T09:30:28,370   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-
2025-08-31T09:30:28,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS
2025-08-31T09:30:28,374   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
2025-08-31T09:30:28,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3
2025-08-31T09:30:28,378   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
2025-08-31T09:30:28,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-
2025-08-31T09:30:28,382   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-
2025-08-31T09:30:28,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4
2025-08-31T09:30:28,385   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
2025-08-31T09:30:28,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2
2025-08-31T09:30:28,389   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
2025-08-31T09:30:28,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22
2025-08-31T09:30:28,393   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
2025-08-31T09:30:28,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5
2025-08-31T09:30:28,396   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
2025-08-31T09:30:28,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh
2025-08-31T09:30:28,400   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
2025-08-31T09:30:28,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:30:28,404   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
2025-08-31T09:30:28,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH
2025-08-31T09:30:28,408   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
2025-08-31T09:30:28,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:30:28,412   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
2025-08-31T09:30:28,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co
2025-08-31T09:30:28,416   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
2025-08-31T09:30:28,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts
2025-08-31T09:30:28,420   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
2025-08-31T09:30:28,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts
2025-08-31T09:30:28,423   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
2025-08-31T09:30:28,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f
2025-08-31T09:30:28,427   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
2025-08-31T09:30:28,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O
2025-08-31T09:30:28,431   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
2025-08-31T09:30:28,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2
2025-08-31T09:30:28,435   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
2025-08-31T09:30:28,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl
2025-08-31T09:30:28,438   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
2025-08-31T09:30:28,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts
2025-08-31T09:30:28,442   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
2025-08-31T09:30:28,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots
2025-08-31T09:30:28,446   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
2025-08-31T09:30:28,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn
2025-08-31T09:30:28,450   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
2025-08-31T09:30:28,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11
2025-08-31T09:30:28,453   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
2025-08-31T09:30:28,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21
2025-08-31T09:30:28,457   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
2025-08-31T09:30:28,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17
2025-08-31T09:30:28,461   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
2025-08-31T09:30:28,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-
2025-08-31T09:30:28,465   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-
2025-08-31T09:30:28,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24
2025-08-31T09:30:28,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e
2025-08-31T09:30:28,471   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
2025-08-31T09:30:28,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p
2025-08-31T09:30:28,475   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
2025-08-31T09:30:28,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e
2025-08-31T09:30:28,479   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
2025-08-31T09:30:28,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e
2025-08-31T09:30:28,483   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
2025-08-31T09:30:28,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p
2025-08-31T09:30:28,487   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
2025-08-31T09:30:28,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p
2025-08-31T09:30:28,491   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
2025-08-31T09:30:28,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p
2025-08-31T09:30:28,495   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
2025-08-31T09:30:28,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e
2025-08-31T09:30:28,498   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
2025-08-31T09:30:28,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e
2025-08-31T09:30:28,502   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
2025-08-31T09:30:28,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p
2025-08-31T09:30:28,506   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
2025-08-31T09:30:28,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e
2025-08-31T09:30:28,510   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
2025-08-31T09:30:28,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p
2025-08-31T09:30:28,514   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
2025-08-31T09:30:28,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p
2025-08-31T09:30:28,518   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
2025-08-31T09:30:28,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e
2025-08-31T09:30:28,522   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
2025-08-31T09:30:28,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e
2025-08-31T09:30:28,526   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
2025-08-31T09:30:28,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p
2025-08-31T09:30:28,530   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
2025-08-31T09:30:28,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p
2025-08-31T09:30:28,534   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
2025-08-31T09:30:28,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p
2025-08-31T09:30:28,538   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
2025-08-31T09:30:28,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e
2025-08-31T09:30:28,542   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
2025-08-31T09:30:28,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e
2025-08-31T09:30:28,546   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
2025-08-31T09:30:28,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e
2025-08-31T09:30:28,550   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
2025-08-31T09:30:28,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e
2025-08-31T09:30:28,554   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
2025-08-31T09:30:28,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p
2025-08-31T09:30:28,558   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
2025-08-31T09:30:28,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e
2025-08-31T09:30:28,562   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
2025-08-31T09:30:28,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e
2025-08-31T09:30:28,566   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
2025-08-31T09:30:28,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p
2025-08-31T09:30:28,570   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
2025-08-31T09:30:28,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p
2025-08-31T09:30:28,574   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
2025-08-31T09:30:28,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e
2025-08-31T09:30:28,577   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
2025-08-31T09:30:28,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p
2025-08-31T09:30:28,582   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
2025-08-31T09:30:28,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p
2025-08-31T09:30:28,585   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
2025-08-31T09:30:28,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e
2025-08-31T09:30:28,589   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
2025-08-31T09:30:28,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p
2025-08-31T09:30:28,593   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
2025-08-31T09:30:28,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p
2025-08-31T09:30:28,597   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
2025-08-31T09:30:28,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e
2025-08-31T09:30:28,601   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
2025-08-31T09:30:28,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p
2025-08-31T09:30:28,605   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
2025-08-31T09:30:28,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p
2025-08-31T09:30:28,609   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
2025-08-31T09:30:28,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e
2025-08-31T09:30:28,614   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
2025-08-31T09:30:28,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e
2025-08-31T09:30:28,617   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
2025-08-31T09:30:28,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p
2025-08-31T09:30:28,621   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
2025-08-31T09:30:28,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e
2025-08-31T09:30:28,625   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
2025-08-31T09:30:28,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e
2025-08-31T09:30:28,629   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
2025-08-31T09:30:28,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p
2025-08-31T09:30:28,634   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
2025-08-31T09:30:28,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e
2025-08-31T09:30:28,638   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
2025-08-31T09:30:28,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p
2025-08-31T09:30:28,642   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
2025-08-31T09:30:28,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p
2025-08-31T09:30:28,646   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
2025-08-31T09:30:28,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e
2025-08-31T09:30:28,651   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
2025-08-31T09:30:28,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e
2025-08-31T09:30:28,654   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
2025-08-31T09:30:28,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p
2025-08-31T09:30:28,659   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
2025-08-31T09:30:28,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10
2025-08-31T09:30:28,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8
2025-08-31T09:30:28,665   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
2025-08-31T09:30:28,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4
2025-08-31T09:30:28,668   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
2025-08-31T09:30:28,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6
2025-08-31T09:30:28,672   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
2025-08-31T09:30:28,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9
2025-08-31T09:30:28,675   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
2025-08-31T09:30:28,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10
2025-08-31T09:30:28,679   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
2025-08-31T09:30:28,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2
2025-08-31T09:30:28,683   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
2025-08-31T09:30:28,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1
2025-08-31T09:30:28,686   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
2025-08-31T09:30:28,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7
2025-08-31T09:30:28,690   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
2025-08-31T09:30:28,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5
2025-08-31T09:30:28,694   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
2025-08-31T09:30:28,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2
2025-08-31T09:30:28,698   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
2025-08-31T09:30:28,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4
2025-08-31T09:30:28,702   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
2025-08-31T09:30:28,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10
2025-08-31T09:30:28,706   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
2025-08-31T09:30:28,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6
2025-08-31T09:30:28,710   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
2025-08-31T09:30:28,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7
2025-08-31T09:30:28,713   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
2025-08-31T09:30:28,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1
2025-08-31T09:30:28,717   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
2025-08-31T09:30:28,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8
2025-08-31T09:30:28,721   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
2025-08-31T09:30:28,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9
2025-08-31T09:30:28,725   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
2025-08-31T09:30:28,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5
2025-08-31T09:30:28,729   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
2025-08-31T09:30:28,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3
2025-08-31T09:30:28,734   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
2025-08-31T09:30:28,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3
2025-08-31T09:30:28,739   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
2025-08-31T09:30:28,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05
2025-08-31T09:30:28,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A
2025-08-31T09:30:28,748   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
2025-08-31T09:30:28,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:30:28,752   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+
2025-08-31T09:30:28,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne
2025-08-31T09:30:28,757   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
2025-08-31T09:30:28,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20
2025-08-31T09:30:28,762   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
2025-08-31T09:30:28,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+
2025-08-31T09:30:28,766   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+
2025-08-31T09:30:28,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2
2025-08-31T09:30:28,770   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
2025-08-31T09:30:28,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+
2025-08-31T09:30:28,774   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+
2025-08-31T09:30:28,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12
2025-08-31T09:30:28,778   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
2025-08-31T09:30:28,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43
2025-08-31T09:30:28,782   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
2025-08-31T09:30:28,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48
2025-08-31T09:30:28,786   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
2025-08-31T09:30:28,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo
2025-08-31T09:30:28,790   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
2025-08-31T09:30:28,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp
2025-08-31T09:30:28,794   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
2025-08-31T09:30:28,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:30:28,798   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
2025-08-31T09:30:28,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm
2025-08-31T09:30:28,802   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
2025-08-31T09:30:28,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02
2025-08-31T09:30:28,806   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
2025-08-31T09:30:28,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:30:28,810   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
2025-08-31T09:30:28,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14
2025-08-31T09:30:28,814   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
2025-08-31T09:30:28,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:30:28,818   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
2025-08-31T09:30:28,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2
2025-08-31T09:30:28,821   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
2025-08-31T09:30:28,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe
2025-08-31T09:30:28,825   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
2025-08-31T09:30:28,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74
2025-08-31T09:30:28,829   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
2025-08-31T09:30:28,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s
2025-08-31T09:30:28,833   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
2025-08-31T09:30:28,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2
2025-08-31T09:30:28,836   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
2025-08-31T09:30:28,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:30:28,840   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
2025-08-31T09:30:28,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20
2025-08-31T09:30:28,844   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
2025-08-31T09:30:28,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:30:28,848   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
2025-08-31T09:30:28,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+
2025-08-31T09:30:28,852   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+
2025-08-31T09:30:28,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68
2025-08-31T09:30:28,856   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
2025-08-31T09:30:28,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a
2025-08-31T09:30:28,859   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
2025-08-31T09:30:28,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67
2025-08-31T09:30:28,863   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
2025-08-31T09:30:28,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A
2025-08-31T09:30:28,867   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
2025-08-31T09:30:28,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h
2025-08-31T09:30:28,870   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
2025-08-31T09:30:28,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20
2025-08-31T09:30:28,874   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
2025-08-31T09:30:28,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6
2025-08-31T09:30:28,878   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
2025-08-31T09:30:28,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71
2025-08-31T09:30:28,882   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
2025-08-31T09:30:28,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+
2025-08-31T09:30:28,886   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+
2025-08-31T09:30:28,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2
2025-08-31T09:30:28,890   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
2025-08-31T09:30:28,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1
2025-08-31T09:30:28,894   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
2025-08-31T09:30:28,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s
2025-08-31T09:30:28,898   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
2025-08-31T09:30:28,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8
2025-08-31T09:30:28,902   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
2025-08-31T09:30:28,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47
2025-08-31T09:30:28,906   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
2025-08-31T09:30:28,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si
2025-08-31T09:30:28,911   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
2025-08-31T09:30:28,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:30:28,915   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
2025-08-31T09:30:28,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc
2025-08-31T09:30:28,919   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
2025-08-31T09:30:28,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf
2025-08-31T09:30:28,923   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
2025-08-31T09:30:28,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21
2025-08-31T09:30:28,927   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
2025-08-31T09:30:28,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo
2025-08-31T09:30:28,931   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
2025-08-31T09:30:28,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco
2025-08-31T09:30:28,935   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
2025-08-31T09:30:28,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B
2025-08-31T09:30:28,939   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
2025-08-31T09:30:28,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39
2025-08-31T09:30:28,943   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
2025-08-31T09:30:28,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4
2025-08-31T09:30:28,947   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
2025-08-31T09:30:28,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg
2025-08-31T09:30:28,951   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
2025-08-31T09:30:28,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh
2025-08-31T09:30:28,955   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
2025-08-31T09:30:28,958   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A
2025-08-31T09:30:28,959   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
2025-08-31T09:30:28,962   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:30:28,963   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
2025-08-31T09:30:28,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k
2025-08-31T09:30:28,967   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
2025-08-31T09:30:28,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34
2025-08-31T09:30:28,970   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
2025-08-31T09:30:28,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o
2025-08-31T09:30:28,974   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
2025-08-31T09:30:28,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:30:28,978   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
2025-08-31T09:30:28,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59
2025-08-31T09:30:28,982   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
2025-08-31T09:30:28,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf
2025-08-31T09:30:28,985   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
2025-08-31T09:30:28,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4
2025-08-31T09:30:28,989   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
2025-08-31T09:30:28,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b
2025-08-31T09:30:28,993   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
2025-08-31T09:30:28,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3
2025-08-31T09:30:28,997   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
2025-08-31T09:30:29,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78
2025-08-31T09:30:29,001   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
2025-08-31T09:30:29,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3
2025-08-31T09:30:29,005   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
2025-08-31T09:30:29,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:30:29,010   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
2025-08-31T09:30:29,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4
2025-08-31T09:30:29,014   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
2025-08-31T09:30:29,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:30:29,017   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
2025-08-31T09:30:29,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p
2025-08-31T09:30:29,021   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
2025-08-31T09:30:29,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be
2025-08-31T09:30:29,025   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
2025-08-31T09:30:29,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:30:29,030   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
2025-08-31T09:30:29,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10
2025-08-31T09:30:29,034   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
2025-08-31T09:30:29,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B
2025-08-31T09:30:29,037   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
2025-08-31T09:30:29,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao
2025-08-31T09:30:29,041   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
2025-08-31T09:30:29,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A
2025-08-31T09:30:29,045   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
2025-08-31T09:30:29,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4
2025-08-31T09:30:29,049   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
2025-08-31T09:30:29,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:30:29,053   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-
2025-08-31T09:30:29,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B
2025-08-31T09:30:29,057   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
2025-08-31T09:30:29,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic
2025-08-31T09:30:29,061   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
2025-08-31T09:30:29,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:30:29,065   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
2025-08-31T09:30:29,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p
2025-08-31T09:30:29,068   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
2025-08-31T09:30:29,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2
2025-08-31T09:30:29,072   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
2025-08-31T09:30:29,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c
2025-08-31T09:30:29,076   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
2025-08-31T09:30:29,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:30:29,080   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
2025-08-31T09:30:29,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24
2025-08-31T09:30:29,084   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
2025-08-31T09:30:29,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B
2025-08-31T09:30:29,088   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
2025-08-31T09:30:29,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:30:29,092   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
2025-08-31T09:30:29,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b
2025-08-31T09:30:29,095   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
2025-08-31T09:30:29,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25
2025-08-31T09:30:29,099   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
2025-08-31T09:30:29,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76
2025-08-31T09:30:29,103   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
2025-08-31T09:30:29,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:30:29,107   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
2025-08-31T09:30:29,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1
2025-08-31T09:30:29,111   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
2025-08-31T09:30:29,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs
2025-08-31T09:30:29,114   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
2025-08-31T09:30:29,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr
2025-08-31T09:30:29,118   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
2025-08-31T09:30:29,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2
2025-08-31T09:30:29,122   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
2025-08-31T09:30:29,125   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl
2025-08-31T09:30:29,126   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
2025-08-31T09:30:29,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3
2025-08-31T09:30:29,130   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
2025-08-31T09:30:29,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f
2025-08-31T09:30:29,134   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
2025-08-31T09:30:29,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf
2025-08-31T09:30:29,138   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
2025-08-31T09:30:29,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B
2025-08-31T09:30:29,142   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
2025-08-31T09:30:29,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3
2025-08-31T09:30:29,146   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
2025-08-31T09:30:29,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64
2025-08-31T09:30:29,150   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
2025-08-31T09:30:29,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20
2025-08-31T09:30:29,154   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
2025-08-31T09:30:29,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80
2025-08-31T09:30:29,158   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
2025-08-31T09:30:29,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH
2025-08-31T09:30:29,163   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
2025-08-31T09:30:29,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh
2025-08-31T09:30:29,167   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
2025-08-31T09:30:29,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2
2025-08-31T09:30:29,171   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
2025-08-31T09:30:29,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S
2025-08-31T09:30:29,175   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
2025-08-31T09:30:29,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73
2025-08-31T09:30:29,180   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
2025-08-31T09:30:29,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5
2025-08-31T09:30:29,184   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
2025-08-31T09:30:29,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2
2025-08-31T09:30:29,189   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
2025-08-31T09:30:29,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1
2025-08-31T09:30:29,193   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
2025-08-31T09:30:29,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl
2025-08-31T09:30:29,197   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
2025-08-31T09:30:29,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s
2025-08-31T09:30:29,201   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
2025-08-31T09:30:29,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A
2025-08-31T09:30:29,205   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
2025-08-31T09:30:29,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25
2025-08-31T09:30:29,209   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
2025-08-31T09:30:29,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:30:29,212   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
2025-08-31T09:30:29,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:30:29,216   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
2025-08-31T09:30:29,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:30:29,220   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
2025-08-31T09:30:29,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:30:29,223   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
2025-08-31T09:30:29,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A
2025-08-31T09:30:29,227   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
2025-08-31T09:30:29,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+
2025-08-31T09:30:29,231   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+
2025-08-31T09:30:29,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts
2025-08-31T09:30:29,235   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
2025-08-31T09:30:29,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2
2025-08-31T09:30:29,239   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
2025-08-31T09:30:29,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn
2025-08-31T09:30:29,242   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
2025-08-31T09:30:29,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2
2025-08-31T09:30:29,246   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
2025-08-31T09:30:29,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca
2025-08-31T09:30:29,250   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
2025-08-31T09:30:29,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13
2025-08-31T09:30:29,254   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
2025-08-31T09:30:29,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:30:29,258   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
2025-08-31T09:30:29,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2
2025-08-31T09:30:29,262   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
2025-08-31T09:30:29,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1
2025-08-31T09:30:29,266   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
2025-08-31T09:30:29,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr
2025-08-31T09:30:29,270   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
2025-08-31T09:30:29,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:30:29,275   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
2025-08-31T09:30:29,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+
2025-08-31T09:30:29,279   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+
2025-08-31T09:30:29,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:30:29,283   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
2025-08-31T09:30:29,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45
2025-08-31T09:30:29,286   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
2025-08-31T09:30:29,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al
2025-08-31T09:30:29,290   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
2025-08-31T09:30:29,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18
2025-08-31T09:30:29,294   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
2025-08-31T09:30:29,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:30:29,299   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
2025-08-31T09:30:29,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3
2025-08-31T09:30:29,302   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
2025-08-31T09:30:29,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58
2025-08-31T09:30:29,306   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
2025-08-31T09:30:29,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s
2025-08-31T09:30:29,310   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
2025-08-31T09:30:29,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:30:29,314   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
2025-08-31T09:30:29,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:30:29,317   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
2025-08-31T09:30:29,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B
2025-08-31T09:30:29,321   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
2025-08-31T09:30:29,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr
2025-08-31T09:30:29,325   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
2025-08-31T09:30:29,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A
2025-08-31T09:30:29,329   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
2025-08-31T09:30:29,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B
2025-08-31T09:30:29,332   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
2025-08-31T09:30:29,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40
2025-08-31T09:30:29,336   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
2025-08-31T09:30:29,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:30:29,340   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
2025-08-31T09:30:29,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2
2025-08-31T09:30:29,344   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
2025-08-31T09:30:29,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2
2025-08-31T09:30:29,348   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
2025-08-31T09:30:29,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A
2025-08-31T09:30:29,351   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
2025-08-31T09:30:29,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh
2025-08-31T09:30:29,355   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
2025-08-31T09:30:29,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts
2025-08-31T09:30:29,359   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
2025-08-31T09:30:29,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f
2025-08-31T09:30:29,362   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
2025-08-31T09:30:29,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O
2025-08-31T09:30:29,366   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
2025-08-31T09:30:29,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2
2025-08-31T09:30:29,370   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
2025-08-31T09:30:29,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH
2025-08-31T09:30:29,374   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
2025-08-31T09:30:29,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl
2025-08-31T09:30:29,378   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
2025-08-31T09:30:29,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots
2025-08-31T09:30:29,381   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
2025-08-31T09:30:29,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn
2025-08-31T09:30:29,385   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
2025-08-31T09:30:29,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2
2025-08-31T09:30:29,390   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
2025-08-31T09:30:29,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3
2025-08-31T09:30:29,394   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
2025-08-31T09:30:29,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar
2025-08-31T09:30:29,398   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
2025-08-31T09:30:29,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4
2025-08-31T09:30:29,401   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
2025-08-31T09:30:29,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17
2025-08-31T09:30:29,405   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
2025-08-31T09:30:29,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he
2025-08-31T09:30:29,409   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
2025-08-31T09:30:29,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:30:29,413   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
2025-08-31T09:30:29,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF
2025-08-31T09:30:29,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:30:29,419   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
2025-08-31T09:30:29,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:30:29,423   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
2025-08-31T09:30:29,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:30:29,427   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
2025-08-31T09:30:29,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:30:29,431   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
2025-08-31T09:30:29,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2
2025-08-31T09:30:29,435   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
2025-08-31T09:30:29,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:30:29,439   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
2025-08-31T09:30:29,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:30:29,443   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
2025-08-31T09:30:29,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:30:29,448   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
2025-08-31T09:30:29,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:30:29,452   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
2025-08-31T09:30:29,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:30:29,456   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
2025-08-31T09:30:29,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:30:29,460   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
2025-08-31T09:30:29,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:30:29,465   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
2025-08-31T09:30:29,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:30:29,469   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
2025-08-31T09:30:29,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:30:29,473   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
2025-08-31T09:30:29,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:30:29,478   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
2025-08-31T09:30:29,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:30:29,482   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
2025-08-31T09:30:29,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:30:29,486   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
2025-08-31T09:30:29,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:30:29,490   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
2025-08-31T09:30:29,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:30:29,493   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
2025-08-31T09:30:29,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:30:29,497   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
2025-08-31T09:30:29,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:30:29,501   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
2025-08-31T09:30:29,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:30:29,504   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
2025-08-31T09:30:29,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:30:29,508   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
2025-08-31T09:30:29,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:30:29,512   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
2025-08-31T09:30:29,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:30:29,516   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
2025-08-31T09:30:29,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1
2025-08-31T09:30:29,520   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
2025-08-31T09:30:29,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:30:29,523   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
2025-08-31T09:30:29,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC
2025-08-31T09:30:29,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene
2025-08-31T09:30:29,529   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
2025-08-31T09:30:29,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene
2025-08-31T09:30:29,533   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
2025-08-31T09:30:29,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine
2025-08-31T09:30:29,537   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
2025-08-31T09:30:29,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1
2025-08-31T09:30:29,541   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
2025-08-31T09:30:29,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X
2025-08-31T09:30:29,545   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
2025-08-31T09:30:29,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5
2025-08-31T09:30:29,549   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
2025-08-31T09:30:29,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3
2025-08-31T09:30:29,553   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
2025-08-31T09:30:29,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6
2025-08-31T09:30:29,556   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
2025-08-31T09:30:29,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane
2025-08-31T09:30:29,561   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
2025-08-31T09:30:29,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4
2025-08-31T09:30:29,565   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
2025-08-31T09:30:29,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8
2025-08-31T09:30:29,569   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
2025-08-31T09:30:29,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X
2025-08-31T09:30:29,572   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
2025-08-31T09:30:29,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2
2025-08-31T09:30:29,576   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
2025-08-31T09:30:29,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X
2025-08-31T09:30:29,580   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
2025-08-31T09:30:29,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH
2025-08-31T09:30:29,584   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
2025-08-31T09:30:29,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene
2025-08-31T09:30:29,588   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
2025-08-31T09:30:29,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X
2025-08-31T09:30:29,592   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
2025-08-31T09:30:29,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9
2025-08-31T09:30:29,595   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
2025-08-31T09:30:29,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7
2025-08-31T09:30:29,599   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
2025-08-31T09:30:29,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein
2025-08-31T09:30:29,603   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
2025-08-31T09:30:29,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10
2025-08-31T09:30:29,607   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
2025-08-31T09:30:29,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene
2025-08-31T09:30:29,611   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
2025-08-31T09:30:29,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11
2025-08-31T09:30:29,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:30:29,617   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
2025-08-31T09:30:29,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:30:29,621   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
2025-08-31T09:30:29,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:30:29,624   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
2025-08-31T09:30:29,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br
2025-08-31T09:30:29,628   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
2025-08-31T09:30:29,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:30:29,632   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
2025-08-31T09:30:29,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:30:29,636   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
2025-08-31T09:30:29,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:30:29,639   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
2025-08-31T09:30:29,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:30:29,643   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
2025-08-31T09:30:29,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:30:29,647   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
2025-08-31T09:30:29,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:30:29,651   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
2025-08-31T09:30:29,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:30:29,654   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
2025-08-31T09:30:29,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:30:29,658   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
2025-08-31T09:30:29,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:30:29,662   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
2025-08-31T09:30:29,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:30:29,666   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
2025-08-31T09:30:29,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:30:29,670   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
2025-08-31T09:30:29,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:30:29,674   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
2025-08-31T09:30:29,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:30:29,678   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
2025-08-31T09:30:29,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:30:29,682   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
2025-08-31T09:30:29,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:30:29,686   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
2025-08-31T09:30:29,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:30:29,691   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
2025-08-31T09:30:29,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:30:29,695   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
2025-08-31T09:30:29,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:30:29,699   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
2025-08-31T09:30:29,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO
2025-08-31T09:30:29,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6
2025-08-31T09:30:29,705   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
2025-08-31T09:30:29,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8
2025-08-31T09:30:29,709   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
2025-08-31T09:30:29,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9
2025-08-31T09:30:29,713   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
2025-08-31T09:30:29,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2
2025-08-31T09:30:29,717   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
2025-08-31T09:30:29,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1
2025-08-31T09:30:29,722   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
2025-08-31T09:30:29,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10
2025-08-31T09:30:29,726   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
2025-08-31T09:30:29,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5
2025-08-31T09:30:29,732   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
2025-08-31T09:30:29,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7
2025-08-31T09:30:29,736   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
2025-08-31T09:30:29,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3
2025-08-31T09:30:29,741   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
2025-08-31T09:30:29,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4
2025-08-31T09:30:29,744   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
2025-08-31T09:30:29,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22
2025-08-31T09:30:29,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04
2025-08-31T09:30:29,750   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
2025-08-31T09:30:29,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11
2025-08-31T09:30:29,754   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
2025-08-31T09:30:29,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b
2025-08-31T09:30:29,758   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
2025-08-31T09:30:29,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a
2025-08-31T09:30:29,762   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
2025-08-31T09:30:29,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15
2025-08-31T09:30:29,765   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
2025-08-31T09:30:29,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09
2025-08-31T09:30:29,769   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
2025-08-31T09:30:29,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20
2025-08-31T09:30:29,773   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
2025-08-31T09:30:29,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b
2025-08-31T09:30:29,777   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
2025-08-31T09:30:29,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01
2025-08-31T09:30:29,782   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
2025-08-31T09:30:29,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b
2025-08-31T09:30:29,786   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
2025-08-31T09:30:29,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a
2025-08-31T09:30:29,790   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
2025-08-31T09:30:29,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06
2025-08-31T09:30:29,794   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
2025-08-31T09:30:29,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a
2025-08-31T09:30:29,798   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
2025-08-31T09:30:29,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a
2025-08-31T09:30:29,802   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
2025-08-31T09:30:29,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14
2025-08-31T09:30:29,806   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
2025-08-31T09:30:29,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b
2025-08-31T09:30:29,809   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
2025-08-31T09:30:29,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22
2025-08-31T09:30:29,813   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
2025-08-31T09:30:29,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b
2025-08-31T09:30:29,817   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
2025-08-31T09:30:29,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a
2025-08-31T09:30:29,820   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
2025-08-31T09:30:29,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b
2025-08-31T09:30:29,824   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
2025-08-31T09:30:29,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a
2025-08-31T09:30:29,828   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
2025-08-31T09:30:29,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07
2025-08-31T09:30:29,832   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
2025-08-31T09:30:29,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a
2025-08-31T09:30:29,836   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
2025-08-31T09:30:29,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a
2025-08-31T09:30:29,840   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
2025-08-31T09:30:29,842   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19
2025-08-31T09:30:29,843   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
2025-08-31T09:30:29,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b
2025-08-31T09:30:29,847   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
2025-08-31T09:30:29,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16
2025-08-31T09:30:29,851   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
2025-08-31T09:30:29,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b
2025-08-31T09:30:29,854   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
2025-08-31T09:30:29,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a
2025-08-31T09:30:29,858   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
2025-08-31T09:30:29,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b
2025-08-31T09:30:29,862   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
2025-08-31T09:30:29,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03
2025-08-31T09:30:29,866   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
2025-08-31T09:30:29,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05
2025-08-31T09:30:29,870   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
2025-08-31T09:30:29,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a
2025-08-31T09:30:29,873   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
2025-08-31T09:30:29,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08
2025-08-31T09:30:29,877   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
2025-08-31T09:30:29,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a
2025-08-31T09:30:29,881   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
2025-08-31T09:30:29,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a
2025-08-31T09:30:29,885   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
2025-08-31T09:30:29,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b
2025-08-31T09:30:29,889   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
2025-08-31T09:30:29,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10
2025-08-31T09:30:29,892   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
2025-08-31T09:30:29,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a
2025-08-31T09:30:29,896   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
2025-08-31T09:30:29,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a
2025-08-31T09:30:29,900   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
2025-08-31T09:30:29,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a
2025-08-31T09:30:29,903   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
2025-08-31T09:30:29,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b
2025-08-31T09:30:29,907   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
2025-08-31T09:30:29,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a
2025-08-31T09:30:29,911   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
2025-08-31T09:30:29,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12
2025-08-31T09:30:29,915   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
2025-08-31T09:30:29,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a
2025-08-31T09:30:29,918   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
2025-08-31T09:30:29,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02
2025-08-31T09:30:29,922   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
2025-08-31T09:30:29,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a
2025-08-31T09:30:29,927   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
2025-08-31T09:30:29,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13
2025-08-31T09:30:29,931   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
2025-08-31T09:30:29,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b
2025-08-31T09:30:29,935   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
2025-08-31T09:30:29,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18
2025-08-31T09:30:29,939   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
2025-08-31T09:30:29,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a
2025-08-31T09:30:29,943   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
2025-08-31T09:30:29,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a
2025-08-31T09:30:29,946   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
2025-08-31T09:30:29,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a
2025-08-31T09:30:29,950   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
2025-08-31T09:30:29,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21
2025-08-31T09:30:29,953   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
2025-08-31T09:30:29,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b
2025-08-31T09:30:29,957   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
2025-08-31T09:30:29,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17
2025-08-31T09:30:29,961   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
2025-08-31T09:30:29,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a
2025-08-31T09:30:29,965   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
2025-08-31T09:30:29,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36
2025-08-31T09:30:29,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9
2025-08-31T09:30:29,971   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
2025-08-31T09:30:29,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4
2025-08-31T09:30:29,974   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
2025-08-31T09:30:29,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9
2025-08-31T09:30:29,978   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
2025-08-31T09:30:29,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13
2025-08-31T09:30:29,982   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
2025-08-31T09:30:29,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5
2025-08-31T09:30:29,986   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
2025-08-31T09:30:29,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4
2025-08-31T09:30:29,990   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
2025-08-31T09:30:29,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7
2025-08-31T09:30:29,994   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
2025-08-31T09:30:29,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8
2025-08-31T09:30:29,998   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
2025-08-31T09:30:30,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5
2025-08-31T09:30:30,002   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
2025-08-31T09:30:30,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5
2025-08-31T09:30:30,006   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
2025-08-31T09:30:30,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11
2025-08-31T09:30:30,010   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
2025-08-31T09:30:30,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10
2025-08-31T09:30:30,014   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
2025-08-31T09:30:30,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15
2025-08-31T09:30:30,019   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
2025-08-31T09:30:30,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1
2025-08-31T09:30:30,024   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
2025-08-31T09:30:30,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14
2025-08-31T09:30:30,028   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
2025-08-31T09:30:30,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4
2025-08-31T09:30:30,032   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
2025-08-31T09:30:30,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16
2025-08-31T09:30:30,036   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
2025-08-31T09:30:30,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13
2025-08-31T09:30:30,040   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
2025-08-31T09:30:30,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6
2025-08-31T09:30:30,044   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
2025-08-31T09:30:30,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3
2025-08-31T09:30:30,048   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
2025-08-31T09:30:30,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2
2025-08-31T09:30:30,051   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
2025-08-31T09:30:30,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6
2025-08-31T09:30:30,055   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
2025-08-31T09:30:30,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12
2025-08-31T09:30:30,059   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
2025-08-31T09:30:30,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11
2025-08-31T09:30:30,063   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
2025-08-31T09:30:30,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1
2025-08-31T09:30:30,067   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
2025-08-31T09:30:30,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3
2025-08-31T09:30:30,071   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
2025-08-31T09:30:30,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3
2025-08-31T09:30:30,075   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
2025-08-31T09:30:30,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2
2025-08-31T09:30:30,078   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
2025-08-31T09:30:30,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10
2025-08-31T09:30:30,082   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
2025-08-31T09:30:30,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6
2025-08-31T09:30:30,086   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
2025-08-31T09:30:30,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12
2025-08-31T09:30:30,090   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
2025-08-31T09:30:30,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15
2025-08-31T09:30:30,094   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
2025-08-31T09:30:30,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7
2025-08-31T09:30:30,098   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
2025-08-31T09:30:30,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14
2025-08-31T09:30:30,102   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
2025-08-31T09:30:30,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8
2025-08-31T09:30:30,106   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
2025-08-31T09:30:30,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1
2025-08-31T09:30:30,110   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
2025-08-31T09:30:30,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4
2025-08-31T09:30:30,114   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
2025-08-31T09:30:30,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2
2025-08-31T09:30:30,118   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
2025-08-31T09:30:30,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66
2025-08-31T09:30:30,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04
2025-08-31T09:30:30,127   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
2025-08-31T09:30:30,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A
2025-08-31T09:30:30,131   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
2025-08-31T09:30:30,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B
2025-08-31T09:30:30,136   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
2025-08-31T09:30:30,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B
2025-08-31T09:30:30,140   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
2025-08-31T09:30:30,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23
2025-08-31T09:30:30,144   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
2025-08-31T09:30:30,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A
2025-08-31T09:30:30,148   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
2025-08-31T09:30:30,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A
2025-08-31T09:30:30,151   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
2025-08-31T09:30:30,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B
2025-08-31T09:30:30,155   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
2025-08-31T09:30:30,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B
2025-08-31T09:30:30,159   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
2025-08-31T09:30:30,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B
2025-08-31T09:30:30,163   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
2025-08-31T09:30:30,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A
2025-08-31T09:30:30,167   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
2025-08-31T09:30:30,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43
2025-08-31T09:30:30,171   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
2025-08-31T09:30:30,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48
2025-08-31T09:30:30,174   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
2025-08-31T09:30:30,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A
2025-08-31T09:30:30,178   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
2025-08-31T09:30:30,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11
2025-08-31T09:30:30,182   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
2025-08-31T09:30:30,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B
2025-08-31T09:30:30,186   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
2025-08-31T09:30:30,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B
2025-08-31T09:30:30,190   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
2025-08-31T09:30:30,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A
2025-08-31T09:30:30,194   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
2025-08-31T09:30:30,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A
2025-08-31T09:30:30,198   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
2025-08-31T09:30:30,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A
2025-08-31T09:30:30,201   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
2025-08-31T09:30:30,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B
2025-08-31T09:30:30,205   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
2025-08-31T09:30:30,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A
2025-08-31T09:30:30,209   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
2025-08-31T09:30:30,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A
2025-08-31T09:30:30,213   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
2025-08-31T09:30:30,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A
2025-08-31T09:30:30,217   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
2025-08-31T09:30:30,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B
2025-08-31T09:30:30,221   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
2025-08-31T09:30:30,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31
2025-08-31T09:30:30,225   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
2025-08-31T09:30:30,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A
2025-08-31T09:30:30,229   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
2025-08-31T09:30:30,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B
2025-08-31T09:30:30,233   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
2025-08-31T09:30:30,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A
2025-08-31T09:30:30,237   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
2025-08-31T09:30:30,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B
2025-08-31T09:30:30,241   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
2025-08-31T09:30:30,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A
2025-08-31T09:30:30,245   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
2025-08-31T09:30:30,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15
2025-08-31T09:30:30,249   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
2025-08-31T09:30:30,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B
2025-08-31T09:30:30,253   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
2025-08-31T09:30:30,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09
2025-08-31T09:30:30,257   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
2025-08-31T09:30:30,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B
2025-08-31T09:30:30,261   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
2025-08-31T09:30:30,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56
2025-08-31T09:30:30,266   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
2025-08-31T09:30:30,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B
2025-08-31T09:30:30,270   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
2025-08-31T09:30:30,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55
2025-08-31T09:30:30,274   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
2025-08-31T09:30:30,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20
2025-08-31T09:30:30,278   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
2025-08-31T09:30:30,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A
2025-08-31T09:30:30,282   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
2025-08-31T09:30:30,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A
2025-08-31T09:30:30,286   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
2025-08-31T09:30:30,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B
2025-08-31T09:30:30,291   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
2025-08-31T09:30:30,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A
2025-08-31T09:30:30,295   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
2025-08-31T09:30:30,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A
2025-08-31T09:30:30,299   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
2025-08-31T09:30:30,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A
2025-08-31T09:30:30,303   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
2025-08-31T09:30:30,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36
2025-08-31T09:30:30,307   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
2025-08-31T09:30:30,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A
2025-08-31T09:30:30,310   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
2025-08-31T09:30:30,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01
2025-08-31T09:30:30,315   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
2025-08-31T09:30:30,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B
2025-08-31T09:30:30,318   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
2025-08-31T09:30:30,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47
2025-08-31T09:30:30,322   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
2025-08-31T09:30:30,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A
2025-08-31T09:30:30,327   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
2025-08-31T09:30:30,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B
2025-08-31T09:30:30,331   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
2025-08-31T09:30:30,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64
2025-08-31T09:30:30,335   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
2025-08-31T09:30:30,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06
2025-08-31T09:30:30,339   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
2025-08-31T09:30:30,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B
2025-08-31T09:30:30,343   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
2025-08-31T09:30:30,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32
2025-08-31T09:30:30,347   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
2025-08-31T09:30:30,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B
2025-08-31T09:30:30,351   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
2025-08-31T09:30:30,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B
2025-08-31T09:30:30,355   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
2025-08-31T09:30:30,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39
2025-08-31T09:30:30,359   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
2025-08-31T09:30:30,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A
2025-08-31T09:30:30,364   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
2025-08-31T09:30:30,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A
2025-08-31T09:30:30,368   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
2025-08-31T09:30:30,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A
2025-08-31T09:30:30,372   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
2025-08-31T09:30:30,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B
2025-08-31T09:30:30,376   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
2025-08-31T09:30:30,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B
2025-08-31T09:30:30,380   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
2025-08-31T09:30:30,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B
2025-08-31T09:30:30,384   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
2025-08-31T09:30:30,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14
2025-08-31T09:30:30,388   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
2025-08-31T09:30:30,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A
2025-08-31T09:30:30,392   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
2025-08-31T09:30:30,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A
2025-08-31T09:30:30,396   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
2025-08-31T09:30:30,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A
2025-08-31T09:30:30,399   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
2025-08-31T09:30:30,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34
2025-08-31T09:30:30,403   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
2025-08-31T09:30:30,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A
2025-08-31T09:30:30,407   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
2025-08-31T09:30:30,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38
2025-08-31T09:30:30,411   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
2025-08-31T09:30:30,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B
2025-08-31T09:30:30,415   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
2025-08-31T09:30:30,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22
2025-08-31T09:30:30,419   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
2025-08-31T09:30:30,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B
2025-08-31T09:30:30,423   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
2025-08-31T09:30:30,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B
2025-08-31T09:30:30,426   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
2025-08-31T09:30:30,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59
2025-08-31T09:30:30,430   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
2025-08-31T09:30:30,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B
2025-08-31T09:30:30,434   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
2025-08-31T09:30:30,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B
2025-08-31T09:30:30,438   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
2025-08-31T09:30:30,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B
2025-08-31T09:30:30,442   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
2025-08-31T09:30:30,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51
2025-08-31T09:30:30,446   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
2025-08-31T09:30:30,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A
2025-08-31T09:30:30,449   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
2025-08-31T09:30:30,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B
2025-08-31T09:30:30,453   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
2025-08-31T09:30:30,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60
2025-08-31T09:30:30,457   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
2025-08-31T09:30:30,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B
2025-08-31T09:30:30,461   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
2025-08-31T09:30:30,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B
2025-08-31T09:30:30,464   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
2025-08-31T09:30:30,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A
2025-08-31T09:30:30,468   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
2025-08-31T09:30:30,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B
2025-08-31T09:30:30,472   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
2025-08-31T09:30:30,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A
2025-08-31T09:30:30,476   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
2025-08-31T09:30:30,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07
2025-08-31T09:30:30,480   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
2025-08-31T09:30:30,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A
2025-08-31T09:30:30,484   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
2025-08-31T09:30:30,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A
2025-08-31T09:30:30,487   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
2025-08-31T09:30:30,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29
2025-08-31T09:30:30,491   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
2025-08-31T09:30:30,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B
2025-08-31T09:30:30,495   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
2025-08-31T09:30:30,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B
2025-08-31T09:30:30,499   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
2025-08-31T09:30:30,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A
2025-08-31T09:30:30,502   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
2025-08-31T09:30:30,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A
2025-08-31T09:30:30,506   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
2025-08-31T09:30:30,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B
2025-08-31T09:30:30,510   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
2025-08-31T09:30:30,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A
2025-08-31T09:30:30,513   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
2025-08-31T09:30:30,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A
2025-08-31T09:30:30,517   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
2025-08-31T09:30:30,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B
2025-08-31T09:30:30,521   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
2025-08-31T09:30:30,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B
2025-08-31T09:30:30,525   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
2025-08-31T09:30:30,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B
2025-08-31T09:30:30,529   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
2025-08-31T09:30:30,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A
2025-08-31T09:30:30,532   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
2025-08-31T09:30:30,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B
2025-08-31T09:30:30,536   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
2025-08-31T09:30:30,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19
2025-08-31T09:30:30,540   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
2025-08-31T09:30:30,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A
2025-08-31T09:30:30,544   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
2025-08-31T09:30:30,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A
2025-08-31T09:30:30,548   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
2025-08-31T09:30:30,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A
2025-08-31T09:30:30,551   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
2025-08-31T09:30:30,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B
2025-08-31T09:30:30,555   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
2025-08-31T09:30:30,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B
2025-08-31T09:30:30,559   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
2025-08-31T09:30:30,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24
2025-08-31T09:30:30,563   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
2025-08-31T09:30:30,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A
2025-08-31T09:30:30,566   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
2025-08-31T09:30:30,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54
2025-08-31T09:30:30,570   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
2025-08-31T09:30:30,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33
2025-08-31T09:30:30,574   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
2025-08-31T09:30:30,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25
2025-08-31T09:30:30,578   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
2025-08-31T09:30:30,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28
2025-08-31T09:30:30,582   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
2025-08-31T09:30:30,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35
2025-08-31T09:30:30,586   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
2025-08-31T09:30:30,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B
2025-08-31T09:30:30,590   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
2025-08-31T09:30:30,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50
2025-08-31T09:30:30,594   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
2025-08-31T09:30:30,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16
2025-08-31T09:30:30,598   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
2025-08-31T09:30:30,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26
2025-08-31T09:30:30,602   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
2025-08-31T09:30:30,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A
2025-08-31T09:30:30,605   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
2025-08-31T09:30:30,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A
2025-08-31T09:30:30,609   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
2025-08-31T09:30:30,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A
2025-08-31T09:30:30,613   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
2025-08-31T09:30:30,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A
2025-08-31T09:30:30,617   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
2025-08-31T09:30:30,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B
2025-08-31T09:30:30,621   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
2025-08-31T09:30:30,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03
2025-08-31T09:30:30,624   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
2025-08-31T09:30:30,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A
2025-08-31T09:30:30,628   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
2025-08-31T09:30:30,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B
2025-08-31T09:30:30,632   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
2025-08-31T09:30:30,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05
2025-08-31T09:30:30,636   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
2025-08-31T09:30:30,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52
2025-08-31T09:30:30,640   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
2025-08-31T09:30:30,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66
2025-08-31T09:30:30,644   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
2025-08-31T09:30:30,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08
2025-08-31T09:30:30,647   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
2025-08-31T09:30:30,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B
2025-08-31T09:30:30,651   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
2025-08-31T09:30:30,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B
2025-08-31T09:30:30,655   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
2025-08-31T09:30:30,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A
2025-08-31T09:30:30,659   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
2025-08-31T09:30:30,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B
2025-08-31T09:30:30,662   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
2025-08-31T09:30:30,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A
2025-08-31T09:30:30,666   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
2025-08-31T09:30:30,669   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B
2025-08-31T09:30:30,670   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
2025-08-31T09:30:30,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A
2025-08-31T09:30:30,673   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
2025-08-31T09:30:30,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10
2025-08-31T09:30:30,677   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
2025-08-31T09:30:30,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65
2025-08-31T09:30:30,681   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
2025-08-31T09:30:30,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B
2025-08-31T09:30:30,685   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
2025-08-31T09:30:30,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A
2025-08-31T09:30:30,689   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
2025-08-31T09:30:30,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B
2025-08-31T09:30:30,692   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
2025-08-31T09:30:30,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A
2025-08-31T09:30:30,696   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
2025-08-31T09:30:30,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B
2025-08-31T09:30:30,700   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
2025-08-31T09:30:30,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B
2025-08-31T09:30:30,704   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
2025-08-31T09:30:30,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41
2025-08-31T09:30:30,708   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
2025-08-31T09:30:30,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B
2025-08-31T09:30:30,713   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
2025-08-31T09:30:30,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37
2025-08-31T09:30:30,717   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
2025-08-31T09:30:30,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49
2025-08-31T09:30:30,720   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
2025-08-31T09:30:30,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12
2025-08-31T09:30:30,724   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
2025-08-31T09:30:30,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A
2025-08-31T09:30:30,728   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
2025-08-31T09:30:30,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02
2025-08-31T09:30:30,732   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
2025-08-31T09:30:30,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B
2025-08-31T09:30:30,736   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
2025-08-31T09:30:30,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13
2025-08-31T09:30:30,740   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
2025-08-31T09:30:30,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B
2025-08-31T09:30:30,744   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
2025-08-31T09:30:30,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B
2025-08-31T09:30:30,748   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
2025-08-31T09:30:30,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45
2025-08-31T09:30:30,752   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
2025-08-31T09:30:30,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62
2025-08-31T09:30:30,755   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
2025-08-31T09:30:30,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18
2025-08-31T09:30:30,760   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
2025-08-31T09:30:30,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B
2025-08-31T09:30:30,764   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
2025-08-31T09:30:30,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B
2025-08-31T09:30:30,768   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
2025-08-31T09:30:30,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58
2025-08-31T09:30:30,772   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
2025-08-31T09:30:30,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B
2025-08-31T09:30:30,775   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
2025-08-31T09:30:30,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A
2025-08-31T09:30:30,779   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
2025-08-31T09:30:30,782   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40
2025-08-31T09:30:30,783   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
2025-08-31T09:30:30,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63
2025-08-31T09:30:30,787   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
2025-08-31T09:30:30,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61
2025-08-31T09:30:30,791   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
2025-08-31T09:30:30,794   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A
2025-08-31T09:30:30,795   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
2025-08-31T09:30:30,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B
2025-08-31T09:30:30,799   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
2025-08-31T09:30:30,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A
2025-08-31T09:30:30,802   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
2025-08-31T09:30:30,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B
2025-08-31T09:30:30,806   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
2025-08-31T09:30:30,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A
2025-08-31T09:30:30,810   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
2025-08-31T09:30:30,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30
2025-08-31T09:30:30,814   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
2025-08-31T09:30:30,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21
2025-08-31T09:30:30,818   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
2025-08-31T09:30:30,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B
2025-08-31T09:30:30,822   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
2025-08-31T09:30:30,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A
2025-08-31T09:30:30,826   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
2025-08-31T09:30:30,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A
2025-08-31T09:30:30,830   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
2025-08-31T09:30:30,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27
2025-08-31T09:30:30,834   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
2025-08-31T09:30:30,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53
2025-08-31T09:30:30,838   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
2025-08-31T09:30:30,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44
2025-08-31T09:30:30,842   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
2025-08-31T09:30:30,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A
2025-08-31T09:30:30,845   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
2025-08-31T09:30:30,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42
2025-08-31T09:30:30,849   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
2025-08-31T09:30:30,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46
2025-08-31T09:30:30,853   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
2025-08-31T09:30:30,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A
2025-08-31T09:30:30,857   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
2025-08-31T09:30:30,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B
2025-08-31T09:30:30,860   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
2025-08-31T09:30:30,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A
2025-08-31T09:30:30,864   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
2025-08-31T09:30:30,867   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A
2025-08-31T09:30:30,868   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
2025-08-31T09:30:30,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57
2025-08-31T09:30:30,872   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
2025-08-31T09:30:30,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17
2025-08-31T09:30:30,876   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
2025-08-31T09:30:30,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B
2025-08-31T09:30:30,880   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
2025-08-31T09:30:30,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A
2025-08-31T09:30:30,884   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
2025-08-31T09:30:30,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A
2025-08-31T09:30:30,888   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
2025-08-31T09:30:30,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A
2025-08-31T09:30:30,892   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
2025-08-31T09:30:30,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B
2025-08-31T09:30:30,896   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
2025-08-31T09:30:30,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13
2025-08-31T09:30:30,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:30:30,902   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
2025-08-31T09:30:30,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5
2025-08-31T09:30:30,906   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
2025-08-31T09:30:30,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3
2025-08-31T09:30:30,910   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
2025-08-31T09:30:30,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:30:30,913   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
2025-08-31T09:30:30,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:30:30,917   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
2025-08-31T09:30:30,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:30:30,921   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
2025-08-31T09:30:30,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf
2025-08-31T09:30:30,924   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
2025-08-31T09:30:30,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6
2025-08-31T09:30:30,928   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
2025-08-31T09:30:30,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6
2025-08-31T09:30:30,932   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
2025-08-31T09:30:30,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:30:30,936   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
2025-08-31T09:30:30,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3
2025-08-31T09:30:30,940   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
2025-08-31T09:30:30,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2
2025-08-31T09:30:30,944   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
2025-08-31T09:30:30,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5
2025-08-31T09:30:30,948   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
2025-08-31T09:30:30,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:30:30,952   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
2025-08-31T09:30:30,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:30:30,956   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
2025-08-31T09:30:30,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:30:30,960   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
2025-08-31T09:30:30,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4
2025-08-31T09:30:30,965   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
2025-08-31T09:30:30,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3
2025-08-31T09:30:30,969   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
2025-08-31T09:30:30,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o
2025-08-31T09:30:30,973   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
2025-08-31T09:30:30,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:30:30,976   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
2025-08-31T09:30:30,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:30:30,981   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
2025-08-31T09:30:30,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:30:30,985   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
2025-08-31T09:30:30,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2
2025-08-31T09:30:30,989   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
2025-08-31T09:30:30,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4
2025-08-31T09:30:30,993   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
2025-08-31T09:30:30,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2
2025-08-31T09:30:30,996   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
2025-08-31T09:30:30,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:30:31,000   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
2025-08-31T09:30:31,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:30:31,004   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
2025-08-31T09:30:31,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4
2025-08-31T09:30:31,008   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
2025-08-31T09:30:31,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3
2025-08-31T09:30:31,011   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
2025-08-31T09:30:31,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP
2025-08-31T09:30:31,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+
2025-08-31T09:30:31,018   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+
2025-08-31T09:30:31,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68
2025-08-31T09:30:31,022   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
2025-08-31T09:30:31,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+
2025-08-31T09:30:31,026   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+
2025-08-31T09:30:31,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43
2025-08-31T09:30:31,030   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
2025-08-31T09:30:31,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48
2025-08-31T09:30:31,034   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
2025-08-31T09:30:31,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11
2025-08-31T09:30:31,037   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
2025-08-31T09:30:31,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62
2025-08-31T09:30:31,041   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
2025-08-31T09:30:31,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n
2025-08-31T09:30:31,045   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
2025-08-31T09:30:31,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li
2025-08-31T09:30:31,049   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
2025-08-31T09:30:31,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74
2025-08-31T09:30:31,052   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
2025-08-31T09:30:31,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+
2025-08-31T09:30:31,056   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+
2025-08-31T09:30:31,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67
2025-08-31T09:30:31,060   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
2025-08-31T09:30:31,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h
2025-08-31T09:30:31,064   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
2025-08-31T09:30:31,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20
2025-08-31T09:30:31,068   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
2025-08-31T09:30:31,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71
2025-08-31T09:30:31,072   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
2025-08-31T09:30:31,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s
2025-08-31T09:30:31,076   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
2025-08-31T09:30:31,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8
2025-08-31T09:30:31,080   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
2025-08-31T09:30:31,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si
2025-08-31T09:30:31,084   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
2025-08-31T09:30:31,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na
2025-08-31T09:30:31,088   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
2025-08-31T09:30:31,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg
2025-08-31T09:30:31,092   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
2025-08-31T09:30:31,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+
2025-08-31T09:30:31,096   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+
2025-08-31T09:30:31,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60
2025-08-31T09:30:31,099   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
2025-08-31T09:30:31,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14
2025-08-31T09:30:31,103   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
2025-08-31T09:30:31,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73
2025-08-31T09:30:31,106   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
2025-08-31T09:30:31,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34
2025-08-31T09:30:31,110   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
2025-08-31T09:30:31,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o
2025-08-31T09:30:31,114   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
2025-08-31T09:30:31,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22
2025-08-31T09:30:31,118   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
2025-08-31T09:30:31,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59
2025-08-31T09:30:31,122   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
2025-08-31T09:30:31,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+
2025-08-31T09:30:31,126   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+
2025-08-31T09:30:31,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51
2025-08-31T09:30:31,130   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
2025-08-31T09:30:31,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78
2025-08-31T09:30:31,134   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
2025-08-31T09:30:31,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75
2025-08-31T09:30:31,138   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
2025-08-31T09:30:31,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+
2025-08-31T09:30:31,141   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+
2025-08-31T09:30:31,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be
2025-08-31T09:30:31,145   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
2025-08-31T09:30:31,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+
2025-08-31T09:30:31,149   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+
2025-08-31T09:30:31,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65
2025-08-31T09:30:31,153   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
2025-08-31T09:30:31,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p
2025-08-31T09:30:31,157   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
2025-08-31T09:30:31,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66
2025-08-31T09:30:31,161   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
2025-08-31T09:30:31,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c
2025-08-31T09:30:31,165   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
2025-08-31T09:30:31,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19
2025-08-31T09:30:31,169   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
2025-08-31T09:30:31,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b
2025-08-31T09:30:31,173   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
2025-08-31T09:30:31,175   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25
2025-08-31T09:30:31,176   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
2025-08-31T09:30:31,179   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+
2025-08-31T09:30:31,180   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+
2025-08-31T09:30:31,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76
2025-08-31T09:30:31,184   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
2025-08-31T09:30:31,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26
2025-08-31T09:30:31,188   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
2025-08-31T09:30:31,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl
2025-08-31T09:30:31,192   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
2025-08-31T09:30:31,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f
2025-08-31T09:30:31,196   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
2025-08-31T09:30:31,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64
2025-08-31T09:30:31,200   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
2025-08-31T09:30:31,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+
2025-08-31T09:30:31,204   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+
2025-08-31T09:30:31,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80
2025-08-31T09:30:31,207   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
2025-08-31T09:30:31,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137
2025-08-31T09:30:31,211   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
2025-08-31T09:30:31,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79
2025-08-31T09:30:31,215   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
2025-08-31T09:30:31,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+
2025-08-31T09:30:31,219   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+
2025-08-31T09:30:31,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+
2025-08-31T09:30:31,223   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+
2025-08-31T09:30:31,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61
2025-08-31T09:30:31,226   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
2025-08-31T09:30:31,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+
2025-08-31T09:30:31,230   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+
2025-08-31T09:30:31,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37
2025-08-31T09:30:31,234   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
2025-08-31T09:30:31,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12
2025-08-31T09:30:31,238   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
2025-08-31T09:30:31,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13
2025-08-31T09:30:31,241   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
2025-08-31T09:30:31,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+
2025-08-31T09:30:31,245   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+
2025-08-31T09:30:31,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45
2025-08-31T09:30:31,249   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
2025-08-31T09:30:31,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al
2025-08-31T09:30:31,253   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
2025-08-31T09:30:31,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77
2025-08-31T09:30:31,256   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
2025-08-31T09:30:31,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18
2025-08-31T09:30:31,260   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
2025-08-31T09:30:31,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72
2025-08-31T09:30:31,264   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
2025-08-31T09:30:31,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70
2025-08-31T09:30:31,268   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
2025-08-31T09:30:31,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63
2025-08-31T09:30:31,272   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
2025-08-31T09:30:31,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30
2025-08-31T09:30:31,276   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
2025-08-31T09:30:31,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65
2025-08-31T09:30:31,280   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
2025-08-31T09:30:31,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44
2025-08-31T09:30:31,284   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
2025-08-31T09:30:31,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+
2025-08-31T09:30:31,288   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+
2025-08-31T09:30:31,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF
2025-08-31T09:30:31,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7
2025-08-31T09:30:31,293   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
2025-08-31T09:30:31,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2
2025-08-31T09:30:31,297   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
2025-08-31T09:30:31,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1
2025-08-31T09:30:31,301   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
2025-08-31T09:30:31,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11
2025-08-31T09:30:31,305   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
2025-08-31T09:30:31,308   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4
2025-08-31T09:30:31,309   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
2025-08-31T09:30:31,312   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10
2025-08-31T09:30:31,313   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
2025-08-31T09:30:31,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3
2025-08-31T09:30:31,317   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
2025-08-31T09:30:31,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4
2025-08-31T09:30:31,321   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
2025-08-31T09:30:31,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15
2025-08-31T09:30:31,325   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
2025-08-31T09:30:31,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6
2025-08-31T09:30:31,329   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
2025-08-31T09:30:31,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1
2025-08-31T09:30:31,333   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
2025-08-31T09:30:31,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8
2025-08-31T09:30:31,337   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
2025-08-31T09:30:31,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12
2025-08-31T09:30:31,341   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
2025-08-31T09:30:31,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14
2025-08-31T09:30:31,345   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
2025-08-31T09:30:31,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13
2025-08-31T09:30:31,349   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
2025-08-31T09:30:31,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9
2025-08-31T09:30:31,389   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
2025-08-31T09:30:31,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3
2025-08-31T09:30:31,395   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
2025-08-31T09:30:31,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5
2025-08-31T09:30:31,401   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
2025-08-31T09:30:31,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2
2025-08-31T09:30:31,406   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
2025-08-31T09:30:31,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel
2025-08-31T09:30:31,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42
2025-08-31T09:30:31,414   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
2025-08-31T09:30:31,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:30:31,418   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
2025-08-31T09:30:31,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1
2025-08-31T09:30:31,422   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
2025-08-31T09:30:31,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0
2025-08-31T09:30:31,426   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
2025-08-31T09:30:31,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0
2025-08-31T09:30:31,429   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
2025-08-31T09:30:31,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42
2025-08-31T09:30:31,433   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
2025-08-31T09:30:31,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2
2025-08-31T09:30:31,437   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
2025-08-31T09:30:31,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71
2025-08-31T09:30:31,441   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
2025-08-31T09:30:31,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41
2025-08-31T09:30:31,445   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
2025-08-31T09:30:31,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:30:31,449   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
2025-08-31T09:30:31,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2
2025-08-31T09:30:31,453   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
2025-08-31T09:30:31,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0
2025-08-31T09:30:31,456   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
2025-08-31T09:30:31,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72
2025-08-31T09:30:31,460   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
2025-08-31T09:30:31,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43
2025-08-31T09:30:31,464   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
2025-08-31T09:30:31,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71
2025-08-31T09:30:31,468   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
2025-08-31T09:30:31,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:30:31,472   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
2025-08-31T09:30:31,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0
2025-08-31T09:30:31,476   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
2025-08-31T09:30:31,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1
2025-08-31T09:30:31,480   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
2025-08-31T09:30:31,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72
2025-08-31T09:30:31,484   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
2025-08-31T09:30:31,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2
2025-08-31T09:30:31,488   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
2025-08-31T09:30:31,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4
2025-08-31T09:30:31,492   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
2025-08-31T09:30:31,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2
2025-08-31T09:30:31,496   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
2025-08-31T09:30:31,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41
2025-08-31T09:30:31,500   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
2025-08-31T09:30:31,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3
2025-08-31T09:30:31,504   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
2025-08-31T09:30:31,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3
2025-08-31T09:30:31,508   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
2025-08-31T09:30:31,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2
2025-08-31T09:30:31,512   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
2025-08-31T09:30:31,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41
2025-08-31T09:30:31,516   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
2025-08-31T09:30:31,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1
2025-08-31T09:30:31,519   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
2025-08-31T09:30:31,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0
2025-08-31T09:30:31,523   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
2025-08-31T09:30:31,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3
2025-08-31T09:30:31,527   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
2025-08-31T09:30:31,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42
2025-08-31T09:30:31,531   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
2025-08-31T09:30:31,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6
2025-08-31T09:30:31,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2
2025-08-31T09:30:31,536   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
2025-08-31T09:30:31,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4
2025-08-31T09:30:31,540   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
2025-08-31T09:30:31,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5
2025-08-31T09:30:31,544   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
2025-08-31T09:30:31,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6
2025-08-31T09:30:31,547   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
2025-08-31T09:30:31,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2
2025-08-31T09:30:31,551   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
2025-08-31T09:30:31,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5
2025-08-31T09:30:31,555   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
2025-08-31T09:30:31,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7
2025-08-31T09:30:31,560   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
2025-08-31T09:30:31,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7
2025-08-31T09:30:31,564   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
2025-08-31T09:30:31,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3
2025-08-31T09:30:31,568   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
2025-08-31T09:30:31,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6
2025-08-31T09:30:31,572   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
2025-08-31T09:30:31,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3
2025-08-31T09:30:31,576   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
2025-08-31T09:30:31,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4
2025-08-31T09:30:31,580   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
2025-08-31T09:30:31,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21
2025-08-31T09:30:31,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470
2025-08-31T09:30:31,586   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
2025-08-31T09:30:31,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691
2025-08-31T09:30:31,590   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
2025-08-31T09:30:31,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:30:31,594   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
2025-08-31T09:30:31,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224
2025-08-31T09:30:31,598   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
2025-08-31T09:30:31,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:30:31,602   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
2025-08-31T09:30:31,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366
2025-08-31T09:30:31,606   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
2025-08-31T09:30:31,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300
2025-08-31T09:30:31,610   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
2025-08-31T09:30:31,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:30:31,615   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
2025-08-31T09:30:31,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:30:31,619   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
2025-08-31T09:30:31,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412
2025-08-31T09:30:31,623   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
2025-08-31T09:30:31,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99
2025-08-31T09:30:31,627   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
2025-08-31T09:30:31,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:30:31,631   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
2025-08-31T09:30:31,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357
2025-08-31T09:30:31,635   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
2025-08-31T09:30:31,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b
2025-08-31T09:30:31,639   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
2025-08-31T09:30:31,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:30:31,643   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
2025-08-31T09:30:31,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114
2025-08-31T09:30:31,647   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
2025-08-31T09:30:31,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:30:31,651   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
2025-08-31T09:30:31,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444
2025-08-31T09:30:31,654   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
2025-08-31T09:30:31,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:30:31,659   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
2025-08-31T09:30:31,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:30:31,663   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
2025-08-31T09:30:31,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215
2025-08-31T09:30:31,667   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
2025-08-31T09:30:31,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10
2025-08-31T09:30:31,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:30:31,673   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+
2025-08-31T09:30:31,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:30:31,677   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+
2025-08-31T09:30:31,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:30:31,681   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+
2025-08-31T09:30:31,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:30:31,685   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+
2025-08-31T09:30:31,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:30:31,688   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+
2025-08-31T09:30:31,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:30:31,692   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+
2025-08-31T09:30:31,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:30:31,696   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+
2025-08-31T09:30:31,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:30:31,700   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+
2025-08-31T09:30:31,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg
2025-08-31T09:30:31,704   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
2025-08-31T09:30:31,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:30:31,708   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+
2025-08-31T09:30:31,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:30:31,712   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
2025-08-31T09:30:31,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be
2025-08-31T09:30:31,716   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
2025-08-31T09:30:31,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:30:31,720   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+
2025-08-31T09:30:31,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:30:31,724   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
2025-08-31T09:30:31,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s
2025-08-31T09:30:31,728   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
2025-08-31T09:30:31,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3
2025-08-31T09:30:31,732   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
2025-08-31T09:30:31,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:30:31,736   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
2025-08-31T09:30:31,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:30:31,740   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
2025-08-31T09:30:31,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:30:31,744   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
2025-08-31T09:30:31,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3
2025-08-31T09:30:31,747   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
2025-08-31T09:30:31,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11
2025-08-31T09:30:31,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn
2025-08-31T09:30:31,755   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
2025-08-31T09:30:31,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn
2025-08-31T09:30:31,759   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
2025-08-31T09:30:31,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f
2025-08-31T09:30:31,763   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
2025-08-31T09:30:31,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf
2025-08-31T09:30:31,766   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
2025-08-31T09:30:31,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo
2025-08-31T09:30:31,770   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
2025-08-31T09:30:31,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2
2025-08-31T09:30:31,774   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
2025-08-31T09:30:31,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3
2025-08-31T09:30:31,778   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
2025-08-31T09:30:31,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn
2025-08-31T09:30:31,781   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
2025-08-31T09:30:31,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf
2025-08-31T09:30:31,785   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
2025-08-31T09:30:31,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2
2025-08-31T09:30:31,789   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
2025-08-31T09:30:31,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo
2025-08-31T09:30:31,793   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
2025-08-31T09:30:31,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:30:31,797   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
2025-08-31T09:30:31,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf
2025-08-31T09:30:31,801   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
2025-08-31T09:30:31,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o
2025-08-31T09:30:31,805   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
2025-08-31T09:30:31,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:30:31,809   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
2025-08-31T09:30:31,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n
2025-08-31T09:30:31,812   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
2025-08-31T09:30:31,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2
2025-08-31T09:30:31,816   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
2025-08-31T09:30:31,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:30:31,820   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
2025-08-31T09:30:31,822   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco
2025-08-31T09:30:31,823   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
2025-08-31T09:30:31,826   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh
2025-08-31T09:30:31,827   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
2025-08-31T09:30:31,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc
2025-08-31T09:30:31,831   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
2025-08-31T09:30:31,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi
2025-08-31T09:30:31,835   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
2025-08-31T09:30:31,838   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2
2025-08-31T09:30:31,839   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
2025-08-31T09:30:31,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4
2025-08-31T09:30:31,843   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
2025-08-31T09:30:31,846   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio
2025-08-31T09:30:31,847   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
2025-08-31T09:30:31,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o
2025-08-31T09:30:31,851   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
2025-08-31T09:30:31,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:30:31,855   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
2025-08-31T09:30:31,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs
2025-08-31T09:30:31,859   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
2025-08-31T09:30:31,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h
2025-08-31T09:30:31,863   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
2025-08-31T09:30:31,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene
2025-08-31T09:30:31,866   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
2025-08-31T09:30:31,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo
2025-08-31T09:30:31,870   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
2025-08-31T09:30:31,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne
2025-08-31T09:30:31,874   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
2025-08-31T09:30:31,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn
2025-08-31T09:30:31,878   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
2025-08-31T09:30:31,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:30:31,881   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
2025-08-31T09:30:31,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s
2025-08-31T09:30:31,885   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
2025-08-31T09:30:31,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si
2025-08-31T09:30:31,889   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
2025-08-31T09:30:31,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh
2025-08-31T09:30:31,893   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
2025-08-31T09:30:31,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc
2025-08-31T09:30:31,897   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
2025-08-31T09:30:31,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3
2025-08-31T09:30:31,901   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
2025-08-31T09:30:31,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs
2025-08-31T09:30:31,905   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
2025-08-31T09:30:31,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf
2025-08-31T09:30:31,909   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
2025-08-31T09:30:31,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo
2025-08-31T09:30:31,913   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
2025-08-31T09:30:31,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco
2025-08-31T09:30:31,916   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
2025-08-31T09:30:31,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf
2025-08-31T09:30:31,920   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
2025-08-31T09:30:31,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2
2025-08-31T09:30:31,923   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
2025-08-31T09:30:31,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic
2025-08-31T09:30:31,927   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
2025-08-31T09:30:31,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh
2025-08-31T09:30:31,931   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
2025-08-31T09:30:31,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co
2025-08-31T09:30:31,935   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
2025-08-31T09:30:31,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o
2025-08-31T09:30:31,939   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
2025-08-31T09:30:31,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh
2025-08-31T09:30:31,943   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
2025-08-31T09:30:31,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4
2025-08-31T09:30:31,947   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
2025-08-31T09:30:31,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2
2025-08-31T09:30:31,951   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
2025-08-31T09:30:31,954   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf
2025-08-31T09:30:31,955   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
2025-08-31T09:30:31,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4
2025-08-31T09:30:31,959   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
2025-08-31T09:30:31,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh
2025-08-31T09:30:31,962   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
2025-08-31T09:30:31,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh
2025-08-31T09:30:31,966   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
2025-08-31T09:30:31,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf
2025-08-31T09:30:31,970   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
2025-08-31T09:30:31,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2
2025-08-31T09:30:31,974   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
2025-08-31T09:30:31,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch
2025-08-31T09:30:31,978   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
2025-08-31T09:30:31,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so
2025-08-31T09:30:31,982   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
2025-08-31T09:30:31,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof
2025-08-31T09:30:31,986   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
2025-08-31T09:30:31,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3
2025-08-31T09:30:31,990   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
2025-08-31T09:30:31,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3
2025-08-31T09:30:31,993   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
2025-08-31T09:30:31,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h
2025-08-31T09:30:31,998   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
2025-08-31T09:30:32,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6
2025-08-31T09:30:32,002   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
2025-08-31T09:30:32,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2
2025-08-31T09:30:32,006   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
2025-08-31T09:30:32,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be
2025-08-31T09:30:32,010   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
2025-08-31T09:30:32,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof
2025-08-31T09:30:32,014   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
2025-08-31T09:30:32,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o
2025-08-31T09:30:32,018   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
2025-08-31T09:30:32,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo
2025-08-31T09:30:32,022   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
2025-08-31T09:30:32,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3
2025-08-31T09:30:32,025   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
2025-08-31T09:30:32,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p
2025-08-31T09:30:32,029   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
2025-08-31T09:30:32,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic
2025-08-31T09:30:32,033   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
2025-08-31T09:30:32,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif
2025-08-31T09:30:32,037   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
2025-08-31T09:30:32,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c
2025-08-31T09:30:32,041   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
2025-08-31T09:30:32,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2
2025-08-31T09:30:32,045   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
2025-08-31T09:30:32,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f
2025-08-31T09:30:32,049   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
2025-08-31T09:30:32,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene
2025-08-31T09:30:32,053   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
2025-08-31T09:30:32,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol
2025-08-31T09:30:32,057   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
2025-08-31T09:30:32,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3
2025-08-31T09:30:32,060   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
2025-08-31T09:30:32,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:30:32,064   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
2025-08-31T09:30:32,067   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b
2025-08-31T09:30:32,068   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
2025-08-31T09:30:32,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof
2025-08-31T09:30:32,072   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
2025-08-31T09:30:32,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono
2025-08-31T09:30:32,076   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
2025-08-31T09:30:32,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:30:32,080   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
2025-08-31T09:30:32,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2
2025-08-31T09:30:32,084   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
2025-08-31T09:30:32,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl
2025-08-31T09:30:32,087   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
2025-08-31T09:30:32,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f
2025-08-31T09:30:32,091   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
2025-08-31T09:30:32,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o
2025-08-31T09:30:32,095   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
2025-08-31T09:30:32,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2
2025-08-31T09:30:32,100   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
2025-08-31T09:30:32,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn
2025-08-31T09:30:32,103   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
2025-08-31T09:30:32,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4
2025-08-31T09:30:32,108   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
2025-08-31T09:30:32,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f
2025-08-31T09:30:32,112   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
2025-08-31T09:30:32,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene
2025-08-31T09:30:32,116   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
2025-08-31T09:30:32,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4
2025-08-31T09:30:32,119   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
2025-08-31T09:30:32,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2
2025-08-31T09:30:32,123   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
2025-08-31T09:30:32,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2
2025-08-31T09:30:32,127   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
2025-08-31T09:30:32,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:30:32,131   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
2025-08-31T09:30:32,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl
2025-08-31T09:30:32,135   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
2025-08-31T09:30:32,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo
2025-08-31T09:30:32,139   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
2025-08-31T09:30:32,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2
2025-08-31T09:30:32,143   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
2025-08-31T09:30:32,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2
2025-08-31T09:30:32,147   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
2025-08-31T09:30:32,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:30:32,151   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
2025-08-31T09:30:32,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh
2025-08-31T09:30:32,155   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
2025-08-31T09:30:32,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2
2025-08-31T09:30:32,159   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
2025-08-31T09:30:32,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh
2025-08-31T09:30:32,163   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
2025-08-31T09:30:32,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl
2025-08-31T09:30:32,167   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
2025-08-31T09:30:32,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s
2025-08-31T09:30:32,171   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
2025-08-31T09:30:32,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3
2025-08-31T09:30:32,175   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
2025-08-31T09:30:32,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch
2025-08-31T09:30:32,179   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
2025-08-31T09:30:32,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl
2025-08-31T09:30:32,184   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
2025-08-31T09:30:32,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane
2025-08-31T09:30:32,188   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
2025-08-31T09:30:32,190   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch
2025-08-31T09:30:32,191   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
2025-08-31T09:30:32,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs
2025-08-31T09:30:32,196   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
2025-08-31T09:30:32,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6
2025-08-31T09:30:32,200   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
2025-08-31T09:30:32,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn
2025-08-31T09:30:32,204   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
2025-08-31T09:30:32,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2
2025-08-31T09:30:32,208   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
2025-08-31T09:30:32,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3
2025-08-31T09:30:32,212   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
2025-08-31T09:30:32,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2
2025-08-31T09:30:32,216   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
2025-08-31T09:30:32,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih
2025-08-31T09:30:32,220   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
2025-08-31T09:30:32,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co
2025-08-31T09:30:32,224   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
2025-08-31T09:30:32,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6
2025-08-31T09:30:32,228   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
2025-08-31T09:30:32,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al
2025-08-31T09:30:32,233   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
2025-08-31T09:30:32,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2
2025-08-31T09:30:32,237   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
2025-08-31T09:30:32,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3
2025-08-31T09:30:32,241   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
2025-08-31T09:30:32,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4
2025-08-31T09:30:32,245   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
2025-08-31T09:30:32,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2
2025-08-31T09:30:32,250   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
2025-08-31T09:30:32,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4
2025-08-31T09:30:32,254   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
2025-08-31T09:30:32,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn
2025-08-31T09:30:32,258   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
2025-08-31T09:30:32,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono
2025-08-31T09:30:32,262   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
2025-08-31T09:30:32,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no
2025-08-31T09:30:32,266   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
2025-08-31T09:30:32,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3
2025-08-31T09:30:32,270   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
2025-08-31T09:30:32,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:30:32,274   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
2025-08-31T09:30:32,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of
2025-08-31T09:30:32,278   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
2025-08-31T09:30:32,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o
2025-08-31T09:30:32,282   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
2025-08-31T09:30:32,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh
2025-08-31T09:30:32,286   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
2025-08-31T09:30:32,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2
2025-08-31T09:30:32,290   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
2025-08-31T09:30:32,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co
2025-08-31T09:30:32,294   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
2025-08-31T09:30:32,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane
2025-08-31T09:30:32,299   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
2025-08-31T09:30:32,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f
2025-08-31T09:30:32,303   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
2025-08-31T09:30:32,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal
2025-08-31T09:30:32,307   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
2025-08-31T09:30:32,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl
2025-08-31T09:30:32,311   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
2025-08-31T09:30:32,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno
2025-08-31T09:30:32,315   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
2025-08-31T09:30:32,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn
2025-08-31T09:30:32,319   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
2025-08-31T09:30:32,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2
2025-08-31T09:30:32,323   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
2025-08-31T09:30:32,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol
2025-08-31T09:30:32,327   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
2025-08-31T09:30:32,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene
2025-08-31T09:30:32,331   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
2025-08-31T09:30:32,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3
2025-08-31T09:30:32,335   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
2025-08-31T09:30:32,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane
2025-08-31T09:30:32,339   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
2025-08-31T09:30:32,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c
2025-08-31T09:30:32,343   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
2025-08-31T09:30:32,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2
2025-08-31T09:30:32,347   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
2025-08-31T09:30:32,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno
2025-08-31T09:30:32,351   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
2025-08-31T09:30:32,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15
2025-08-31T09:30:32,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c
2025-08-31T09:30:32,357   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
2025-08-31T09:30:32,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c
2025-08-31T09:30:32,361   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
2025-08-31T09:30:32,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c
2025-08-31T09:30:32,365   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
2025-08-31T09:30:32,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a
2025-08-31T09:30:32,369   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
2025-08-31T09:30:32,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b
2025-08-31T09:30:32,373   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
2025-08-31T09:30:32,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a
2025-08-31T09:30:32,377   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
2025-08-31T09:30:32,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b
2025-08-31T09:30:32,382   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
2025-08-31T09:30:32,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a
2025-08-31T09:30:32,385   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
2025-08-31T09:30:32,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a
2025-08-31T09:30:32,389   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
2025-08-31T09:30:32,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b
2025-08-31T09:30:32,393   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
2025-08-31T09:30:32,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d
2025-08-31T09:30:32,397   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
2025-08-31T09:30:32,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b
2025-08-31T09:30:32,402   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
2025-08-31T09:30:32,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a
2025-08-31T09:30:32,406   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
2025-08-31T09:30:32,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b
2025-08-31T09:30:32,410   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
2025-08-31T09:30:32,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a
2025-08-31T09:30:32,414   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
2025-08-31T09:30:32,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b
2025-08-31T09:30:32,418   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
2025-08-31T09:30:32,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b
2025-08-31T09:30:32,421   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
2025-08-31T09:30:32,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b
2025-08-31T09:30:32,426   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
2025-08-31T09:30:32,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a
2025-08-31T09:30:32,433   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
2025-08-31T09:30:32,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a
2025-08-31T09:30:32,441   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
2025-08-31T09:30:32,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a
2025-08-31T09:30:32,663   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
2025-08-31T09:30:32,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b
2025-08-31T09:30:32,669   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
2025-08-31T09:30:32,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a
2025-08-31T09:30:32,673   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
2025-08-31T09:30:32,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d
2025-08-31T09:30:32,678   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
2025-08-31T09:30:32,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b
2025-08-31T09:30:32,683   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
2025-08-31T09:30:32,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43
2025-08-31T09:30:32,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04
2025-08-31T09:30:32,691   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
2025-08-31T09:30:32,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23
2025-08-31T09:30:32,695   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
2025-08-31T09:30:32,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43
2025-08-31T09:30:32,700   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
2025-08-31T09:30:32,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11
2025-08-31T09:30:32,704   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
2025-08-31T09:30:32,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4
2025-08-31T09:30:32,708   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
2025-08-31T09:30:32,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2
2025-08-31T09:30:32,712   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
2025-08-31T09:30:32,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31
2025-08-31T09:30:32,716   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
2025-08-31T09:30:32,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15
2025-08-31T09:30:32,721   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
2025-08-31T09:30:32,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09
2025-08-31T09:30:32,727   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
2025-08-31T09:30:32,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20
2025-08-31T09:30:32,732   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
2025-08-31T09:30:32,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36
2025-08-31T09:30:32,737   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
2025-08-31T09:30:32,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01
2025-08-31T09:30:32,741   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
2025-08-31T09:30:32,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06
2025-08-31T09:30:32,746   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
2025-08-31T09:30:32,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32
2025-08-31T09:30:32,750   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
2025-08-31T09:30:32,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39
2025-08-31T09:30:32,754   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
2025-08-31T09:30:32,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4
2025-08-31T09:30:32,758   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
2025-08-31T09:30:32,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2
2025-08-31T09:30:32,761   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
2025-08-31T09:30:32,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2
2025-08-31T09:30:32,765   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
2025-08-31T09:30:32,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14
2025-08-31T09:30:32,770   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
2025-08-31T09:30:32,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2
2025-08-31T09:30:32,774   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
2025-08-31T09:30:32,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34
2025-08-31T09:30:32,778   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
2025-08-31T09:30:32,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH
2025-08-31T09:30:32,782   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
2025-08-31T09:30:32,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38
2025-08-31T09:30:32,786   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
2025-08-31T09:30:32,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22
2025-08-31T09:30:32,790   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
2025-08-31T09:30:32,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2
2025-08-31T09:30:32,794   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
2025-08-31T09:30:32,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2
2025-08-31T09:30:32,798   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
2025-08-31T09:30:32,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH
2025-08-31T09:30:32,801   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
2025-08-31T09:30:32,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07
2025-08-31T09:30:32,805   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
2025-08-31T09:30:32,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2
2025-08-31T09:30:32,809   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
2025-08-31T09:30:32,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29
2025-08-31T09:30:32,813   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
2025-08-31T09:30:32,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19
2025-08-31T09:30:32,817   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
2025-08-31T09:30:32,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24
2025-08-31T09:30:32,821   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
2025-08-31T09:30:32,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33
2025-08-31T09:30:32,825   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
2025-08-31T09:30:32,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25
2025-08-31T09:30:32,829   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
2025-08-31T09:30:32,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28
2025-08-31T09:30:32,833   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
2025-08-31T09:30:32,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35
2025-08-31T09:30:32,837   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
2025-08-31T09:30:32,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16
2025-08-31T09:30:32,841   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
2025-08-31T09:30:32,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26
2025-08-31T09:30:32,845   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
2025-08-31T09:30:32,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03
2025-08-31T09:30:32,849   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
2025-08-31T09:30:32,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05
2025-08-31T09:30:32,853   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
2025-08-31T09:30:32,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2
2025-08-31T09:30:32,857   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
2025-08-31T09:30:32,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08
2025-08-31T09:30:32,861   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
2025-08-31T09:30:32,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10
2025-08-31T09:30:32,865   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
2025-08-31T09:30:32,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41
2025-08-31T09:30:32,869   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
2025-08-31T09:30:32,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3
2025-08-31T09:30:32,873   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
2025-08-31T09:30:32,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37
2025-08-31T09:30:32,877   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
2025-08-31T09:30:32,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12
2025-08-31T09:30:32,882   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
2025-08-31T09:30:32,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02
2025-08-31T09:30:32,887   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
2025-08-31T09:30:32,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13
2025-08-31T09:30:32,892   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
2025-08-31T09:30:32,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18
2025-08-31T09:30:32,896   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
2025-08-31T09:30:32,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40
2025-08-31T09:30:32,900   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
2025-08-31T09:30:32,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2
2025-08-31T09:30:32,904   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
2025-08-31T09:30:32,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30
2025-08-31T09:30:32,908   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
2025-08-31T09:30:32,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21
2025-08-31T09:30:32,912   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
2025-08-31T09:30:32,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27
2025-08-31T09:30:32,917   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
2025-08-31T09:30:32,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3
2025-08-31T09:30:32,922   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
2025-08-31T09:30:32,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42
2025-08-31T09:30:32,926   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
2025-08-31T09:30:32,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17
2025-08-31T09:30:32,930   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
2025-08-31T09:30:32,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC
2025-08-31T09:30:32,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:30:32,937   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
2025-08-31T09:30:32,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:30:32,942   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
2025-08-31T09:30:32,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02
2025-08-31T09:30:32,946   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
2025-08-31T09:30:32,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:30:32,950   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
2025-08-31T09:30:32,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o
2025-08-31T09:30:32,953   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
2025-08-31T09:30:32,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2
2025-08-31T09:30:32,958   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
2025-08-31T09:30:32,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05
2025-08-31T09:30:32,962   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
2025-08-31T09:30:32,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08
2025-08-31T09:30:32,966   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
2025-08-31T09:30:32,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18
2025-08-31T09:30:32,970   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
2025-08-31T09:30:32,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h
2025-08-31T09:30:32,974   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
2025-08-31T09:30:32,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:30:32,978   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
2025-08-31T09:30:32,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06
2025-08-31T09:30:32,982   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
2025-08-31T09:30:32,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2
2025-08-31T09:30:32,986   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
2025-08-31T09:30:32,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:30:32,990   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
2025-08-31T09:30:32,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5
2025-08-31T09:30:32,994   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
2025-08-31T09:30:32,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15
2025-08-31T09:30:32,998   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
2025-08-31T09:30:33,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:30:33,002   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
2025-08-31T09:30:33,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:30:33,006   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
2025-08-31T09:30:33,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc
2025-08-31T09:30:33,009   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
2025-08-31T09:30:33,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf
2025-08-31T09:30:33,014   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
2025-08-31T09:30:33,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:30:33,018   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
2025-08-31T09:30:33,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco
2025-08-31T09:30:33,022   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
2025-08-31T09:30:33,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4
2025-08-31T09:30:33,026   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
2025-08-31T09:30:33,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14
2025-08-31T09:30:33,030   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
2025-08-31T09:30:33,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh
2025-08-31T09:30:33,034   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
2025-08-31T09:30:33,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13
2025-08-31T09:30:33,038   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
2025-08-31T09:30:33,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:30:33,043   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
2025-08-31T09:30:33,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09
2025-08-31T09:30:33,046   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
2025-08-31T09:30:33,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf
2025-08-31T09:30:33,051   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
2025-08-31T09:30:33,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2
2025-08-31T09:30:33,055   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
2025-08-31T09:30:33,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2
2025-08-31T09:30:33,059   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
2025-08-31T09:30:33,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07
2025-08-31T09:30:33,063   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
2025-08-31T09:30:33,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8
2025-08-31T09:30:33,067   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
2025-08-31T09:30:33,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:30:33,072   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
2025-08-31T09:30:33,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10
2025-08-31T09:30:33,076   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
2025-08-31T09:30:33,079   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:30:33,080   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
2025-08-31T09:30:33,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:30:33,084   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
2025-08-31T09:30:33,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:30:33,088   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
2025-08-31T09:30:33,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts
2025-08-31T09:30:33,092   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
2025-08-31T09:30:33,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2
2025-08-31T09:30:33,097   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
2025-08-31T09:30:33,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl
2025-08-31T09:30:33,101   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
2025-08-31T09:30:33,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f
2025-08-31T09:30:33,104   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
2025-08-31T09:30:33,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19
2025-08-31T09:30:33,109   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
2025-08-31T09:30:33,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:30:33,113   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
2025-08-31T09:30:33,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03
2025-08-31T09:30:33,117   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
2025-08-31T09:30:33,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:30:33,121   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
2025-08-31T09:30:33,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3
2025-08-31T09:30:33,125   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
2025-08-31T09:30:33,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16
2025-08-31T09:30:33,130   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
2025-08-31T09:30:33,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3
2025-08-31T09:30:33,133   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
2025-08-31T09:30:33,136   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12
2025-08-31T09:30:33,137   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
2025-08-31T09:30:33,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6
2025-08-31T09:30:33,142   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
2025-08-31T09:30:33,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:30:33,146   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
2025-08-31T09:30:33,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S
2025-08-31T09:30:33,150   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
2025-08-31T09:30:33,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01
2025-08-31T09:30:33,154   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
2025-08-31T09:30:33,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O
2025-08-31T09:30:33,158   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
2025-08-31T09:30:33,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04
2025-08-31T09:30:33,163   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
2025-08-31T09:30:33,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20
2025-08-31T09:30:33,167   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
2025-08-31T09:30:33,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts
2025-08-31T09:30:33,171   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
2025-08-31T09:30:33,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7
2025-08-31T09:30:33,176   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
2025-08-31T09:30:33,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H
2025-08-31T09:30:33,180   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
2025-08-31T09:30:33,183   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-
2025-08-31T09:30:33,184   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-
2025-08-31T09:30:33,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS
2025-08-31T09:30:33,188   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
2025-08-31T09:30:33,191   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3
2025-08-31T09:30:33,192   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
2025-08-31T09:30:33,195   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-
2025-08-31T09:30:33,196   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-
2025-08-31T09:30:33,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4
2025-08-31T09:30:33,200   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
2025-08-31T09:30:33,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2
2025-08-31T09:30:33,205   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
2025-08-31T09:30:33,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22
2025-08-31T09:30:33,209   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
2025-08-31T09:30:33,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5
2025-08-31T09:30:33,213   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
2025-08-31T09:30:33,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:30:33,217   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
2025-08-31T09:30:33,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:30:33,221   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
2025-08-31T09:30:33,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH
2025-08-31T09:30:33,225   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
2025-08-31T09:30:33,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:30:33,229   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
2025-08-31T09:30:33,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co
2025-08-31T09:30:33,233   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
2025-08-31T09:30:33,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:30:33,237   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
2025-08-31T09:30:33,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts
2025-08-31T09:30:33,241   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
2025-08-31T09:30:33,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f
2025-08-31T09:30:33,245   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
2025-08-31T09:30:33,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O
2025-08-31T09:30:33,250   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
2025-08-31T09:30:33,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2
2025-08-31T09:30:33,254   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
2025-08-31T09:30:33,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl
2025-08-31T09:30:33,258   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
2025-08-31T09:30:33,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:30:33,262   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
2025-08-31T09:30:33,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots
2025-08-31T09:30:33,266   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
2025-08-31T09:30:33,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn
2025-08-31T09:30:33,269   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
2025-08-31T09:30:33,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11
2025-08-31T09:30:33,273   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
2025-08-31T09:30:33,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21
2025-08-31T09:30:33,278   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
2025-08-31T09:30:33,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17
2025-08-31T09:30:33,283   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
2025-08-31T09:30:33,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-
2025-08-31T09:30:33,290   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-
2025-08-31T09:30:33,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4
2025-08-31T09:30:33,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:30:33,297   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
2025-08-31T09:30:33,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:30:33,301   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
2025-08-31T09:30:33,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:30:33,305   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
2025-08-31T09:30:33,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:30:33,310   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
2025-08-31T09:30:33,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:30:33,314   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
2025-08-31T09:30:33,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:30:33,319   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
2025-08-31T09:30:33,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:30:33,323   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
2025-08-31T09:30:33,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:30:33,327   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
2025-08-31T09:30:33,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:30:33,331   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
2025-08-31T09:30:33,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:30:33,335   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
2025-08-31T09:30:33,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:30:33,339   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
2025-08-31T09:30:33,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:30:33,344   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
2025-08-31T09:30:33,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:30:33,348   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
2025-08-31T09:30:33,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:30:33,352   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
2025-08-31T09:30:33,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:30:33,356   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
2025-08-31T09:30:33,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:30:33,361   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
2025-08-31T09:30:33,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:30:33,365   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
2025-08-31T09:30:33,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:30:33,368   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
2025-08-31T09:30:33,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:30:33,372   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
2025-08-31T09:30:33,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:30:33,376   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
2025-08-31T09:30:33,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:30:33,380   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
2025-08-31T09:30:33,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:30:33,385   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
2025-08-31T09:30:33,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:30:33,389   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
2025-08-31T09:30:33,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:30:33,393   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
2025-08-31T09:30:33,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:30:33,397   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
2025-08-31T09:30:33,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:30:33,401   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
2025-08-31T09:30:33,404   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:30:33,405   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
2025-08-31T09:30:33,408   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:30:33,410   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
2025-08-31T09:30:33,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:30:33,414   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
2025-08-31T09:30:33,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:30:33,418   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
2025-08-31T09:30:33,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:30:33,422   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
2025-08-31T09:30:33,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:30:33,426   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
2025-08-31T09:30:33,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:30:33,431   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
2025-08-31T09:30:33,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:30:33,435   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
2025-08-31T09:30:33,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:30:33,439   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
2025-08-31T09:30:33,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:30:33,443   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
2025-08-31T09:30:33,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:30:33,447   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
2025-08-31T09:30:33,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:30:33,451   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
2025-08-31T09:30:33,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:30:33,455   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
2025-08-31T09:30:33,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:30:33,460   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
2025-08-31T09:30:33,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:30:33,464   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
2025-08-31T09:30:33,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:30:33,468   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
2025-08-31T09:30:33,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:30:33,472   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
2025-08-31T09:30:33,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:30:33,476   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
2025-08-31T09:30:33,479   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:30:33,481   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
2025-08-31T09:30:33,483   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:30:33,485   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
2025-08-31T09:30:33,487   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:30:33,489   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
2025-08-31T09:30:33,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:30:33,493   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
2025-08-31T09:30:33,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:30:33,497   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
2025-08-31T09:30:33,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:30:33,501   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
2025-08-31T09:30:33,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:30:33,505   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
2025-08-31T09:30:33,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:30:33,509   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
2025-08-31T09:30:33,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:30:33,513   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
2025-08-31T09:30:33,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:30:33,517   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
2025-08-31T09:30:33,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:30:33,521   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
2025-08-31T09:30:33,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:30:33,525   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
2025-08-31T09:30:33,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:30:33,530   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
2025-08-31T09:30:33,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:30:33,533   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
2025-08-31T09:30:33,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:30:33,538   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
2025-08-31T09:30:33,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:30:33,542   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
2025-08-31T09:30:33,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:30:33,546   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
2025-08-31T09:30:33,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:30:33,551   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
2025-08-31T09:30:33,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:30:33,554   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
2025-08-31T09:30:33,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:30:33,558   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
2025-08-31T09:30:33,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:30:33,562   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
2025-08-31T09:30:33,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:30:33,566   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
2025-08-31T09:30:33,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:30:33,570   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
2025-08-31T09:30:33,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:30:33,574   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
2025-08-31T09:30:33,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:30:33,578   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
2025-08-31T09:30:33,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:30:33,582   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
2025-08-31T09:30:33,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:30:33,586   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
2025-08-31T09:30:33,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:30:33,591   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
2025-08-31T09:30:33,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:30:33,595   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
2025-08-31T09:30:33,598   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:30:33,599   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
2025-08-31T09:30:33,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:30:33,603   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
2025-08-31T09:30:33,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:30:33,607   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
2025-08-31T09:30:33,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:30:33,611   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
2025-08-31T09:30:33,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:30:33,615   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
2025-08-31T09:30:33,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:30:33,619   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
2025-08-31T09:30:33,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:30:33,623   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
2025-08-31T09:30:33,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:30:33,628   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
2025-08-31T09:30:33,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:30:33,632   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
2025-08-31T09:30:33,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:30:33,636   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
2025-08-31T09:30:33,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:30:33,641   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
2025-08-31T09:30:33,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:30:33,645   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
2025-08-31T09:30:33,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:30:33,649   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
2025-08-31T09:30:33,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:30:33,653   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
2025-08-31T09:30:33,656   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:30:33,657   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
2025-08-31T09:30:33,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:30:33,661   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
2025-08-31T09:30:33,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:30:33,665   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
2025-08-31T09:30:33,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:30:33,669   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
2025-08-31T09:30:33,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:30:33,673   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
2025-08-31T09:30:33,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:30:33,677   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
2025-08-31T09:30:33,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:30:33,681   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
2025-08-31T09:30:33,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:30:33,685   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
2025-08-31T09:30:33,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:30:33,689   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
2025-08-31T09:30:33,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:30:33,693   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
2025-08-31T09:30:33,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:30:33,697   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
2025-08-31T09:30:33,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:30:33,701   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
2025-08-31T09:30:33,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:30:33,705   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
2025-08-31T09:30:33,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20
2025-08-31T09:30:33,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49
2025-08-31T09:30:33,711   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
2025-08-31T09:30:33,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40
2025-08-31T09:30:33,715   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
2025-08-31T09:30:33,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51
2025-08-31T09:30:33,719   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
2025-08-31T09:30:33,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40
2025-08-31T09:30:33,723   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
2025-08-31T09:30:33,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25
2025-08-31T09:30:33,727   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
2025-08-31T09:30:33,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45
2025-08-31T09:30:33,732   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
2025-08-31T09:30:33,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44
2025-08-31T09:30:33,736   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
2025-08-31T09:30:33,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57
2025-08-31T09:30:33,739   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
2025-08-31T09:30:33,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48
2025-08-31T09:30:33,743   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
2025-08-31T09:30:33,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22
2025-08-31T09:30:33,747   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
2025-08-31T09:30:33,750   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47
2025-08-31T09:30:33,751   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
2025-08-31T09:30:33,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26
2025-08-31T09:30:33,754   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
2025-08-31T09:30:33,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43
2025-08-31T09:30:33,758   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
2025-08-31T09:30:33,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52
2025-08-31T09:30:33,762   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
2025-08-31T09:30:33,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25
2025-08-31T09:30:33,766   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
2025-08-31T09:30:33,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20
2025-08-31T09:30:33,771   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
2025-08-31T09:30:33,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29
2025-08-31T09:30:33,775   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
2025-08-31T09:30:33,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21
2025-08-31T09:30:33,780   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
2025-08-31T09:30:33,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47
2025-08-31T09:30:33,784   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
2025-08-31T09:30:33,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56
2025-08-31T09:30:33,789   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
2025-08-31T09:30:33,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51
2025-08-31T09:30:33,794   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
2025-08-31T09:30:33,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49
2025-08-31T09:30:33,801   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
2025-08-31T09:30:33,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20
2025-08-31T09:30:33,806   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
2025-08-31T09:30:33,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44
2025-08-31T09:30:33,811   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
2025-08-31T09:30:33,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52
2025-08-31T09:30:33,816   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
2025-08-31T09:30:33,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26
2025-08-31T09:30:33,821   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
2025-08-31T09:30:33,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46
2025-08-31T09:30:33,826   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
2025-08-31T09:30:33,830   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48
2025-08-31T09:30:33,831   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
2025-08-31T09:30:33,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43
2025-08-31T09:30:33,836   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
2025-08-31T09:30:33,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46
2025-08-31T09:30:33,841   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
2025-08-31T09:30:33,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56
2025-08-31T09:30:33,847   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
2025-08-31T09:30:33,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60
2025-08-31T09:30:33,852   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
2025-08-31T09:30:33,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28
2025-08-31T09:30:33,857   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
2025-08-31T09:30:33,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60
2025-08-31T09:30:33,862   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
2025-08-31T09:30:33,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45
2025-08-31T09:30:33,867   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
2025-08-31T09:30:33,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22
2025-08-31T09:30:33,872   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
2025-08-31T09:30:33,875   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA
2025-08-31T09:30:33,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o
2025-08-31T09:30:33,880   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
2025-08-31T09:30:33,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12
2025-08-31T09:30:33,884   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
2025-08-31T09:30:33,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15
2025-08-31T09:30:33,889   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
2025-08-31T09:30:33,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n
2025-08-31T09:30:33,894   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
2025-08-31T09:30:33,897   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f
2025-08-31T09:30:33,898   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
2025-08-31T09:30:33,901   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14
2025-08-31T09:30:33,903   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
2025-08-31T09:30:33,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-
2025-08-31T09:30:33,908   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-
2025-08-31T09:30:33,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl
2025-08-31T09:30:33,913   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
2025-08-31T09:30:33,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p
2025-08-31T09:30:33,918   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
2025-08-31T09:30:33,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n
2025-08-31T09:30:33,923   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
2025-08-31T09:30:33,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20
2025-08-31T09:30:33,928   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
2025-08-31T09:30:33,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n
2025-08-31T09:30:33,933   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
2025-08-31T09:30:33,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n
2025-08-31T09:30:33,938   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
2025-08-31T09:30:33,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c
2025-08-31T09:30:33,943   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
2025-08-31T09:30:33,946   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19
2025-08-31T09:30:33,947   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
2025-08-31T09:30:33,950   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10
2025-08-31T09:30:33,952   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
2025-08-31T09:30:33,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21
2025-08-31T09:30:33,956   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
2025-08-31T09:30:33,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13
2025-08-31T09:30:33,962   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
2025-08-31T09:30:33,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22
2025-08-31T09:30:33,966   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
2025-08-31T09:30:33,970   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11
2025-08-31T09:30:33,971   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
2025-08-31T09:30:33,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n
2025-08-31T09:30:33,976   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
2025-08-31T09:30:33,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8
2025-08-31T09:30:33,981   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
2025-08-31T09:30:33,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si
2025-08-31T09:30:33,986   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
2025-08-31T09:30:33,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-
2025-08-31T09:30:33,990   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-
2025-08-31T09:30:33,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9
2025-08-31T09:30:33,994   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
2025-08-31T09:30:33,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n
2025-08-31T09:30:33,998   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
2025-08-31T09:30:34,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-
2025-08-31T09:30:34,002   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-
2025-08-31T09:30:34,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16
2025-08-31T09:30:34,006   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
2025-08-31T09:30:34,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n
2025-08-31T09:30:34,010   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
2025-08-31T09:30:34,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n
2025-08-31T09:30:34,014   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
2025-08-31T09:30:34,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-
2025-08-31T09:30:34,018   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-
2025-08-31T09:30:34,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-
2025-08-31T09:30:34,022   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-
2025-08-31T09:30:34,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n
2025-08-31T09:30:34,026   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
2025-08-31T09:30:34,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17
2025-08-31T09:30:34,030   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
2025-08-31T09:30:34,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n
2025-08-31T09:30:34,033   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
2025-08-31T09:30:34,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n
2025-08-31T09:30:34,038   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
2025-08-31T09:30:34,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-
2025-08-31T09:30:34,041   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-
2025-08-31T09:30:34,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25
2025-08-31T09:30:34,045   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
2025-08-31T09:30:34,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n
2025-08-31T09:30:34,049   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
2025-08-31T09:30:34,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n
2025-08-31T09:30:34,053   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
2025-08-31T09:30:34,056   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n
2025-08-31T09:30:34,057   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
2025-08-31T09:30:34,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24
2025-08-31T09:30:34,061   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
2025-08-31T09:30:34,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n
2025-08-31T09:30:34,065   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
2025-08-31T09:30:34,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s
2025-08-31T09:30:34,069   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
2025-08-31T09:30:34,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n
2025-08-31T09:30:34,073   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
2025-08-31T09:30:34,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n
2025-08-31T09:30:34,077   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
2025-08-31T09:30:34,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18
2025-08-31T09:30:34,081   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
2025-08-31T09:30:34,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:30:34,085   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-
2025-08-31T09:30:34,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n
2025-08-31T09:30:34,089   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
2025-08-31T09:30:34,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23
2025-08-31T09:30:34,093   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
2025-08-31T09:30:34,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59
2025-08-31T09:30:34,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:30:34,100   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
2025-08-31T09:30:34,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:30:34,104   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
2025-08-31T09:30:34,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:30:34,108   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
2025-08-31T09:30:34,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:30:34,112   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
2025-08-31T09:30:34,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:30:34,116   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
2025-08-31T09:30:34,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:30:34,120   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
2025-08-31T09:30:34,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:30:34,124   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
2025-08-31T09:30:34,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:30:34,128   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
2025-08-31T09:30:34,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:30:34,132   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
2025-08-31T09:30:34,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:30:34,136   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
2025-08-31T09:30:34,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:30:34,140   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
2025-08-31T09:30:34,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:30:34,144   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
2025-08-31T09:30:34,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:30:34,147   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
2025-08-31T09:30:34,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:30:34,152   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
2025-08-31T09:30:34,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:30:34,155   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
2025-08-31T09:30:34,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:30:34,160   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
2025-08-31T09:30:34,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:30:34,164   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
2025-08-31T09:30:34,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:30:34,169   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
2025-08-31T09:30:34,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS
2025-08-31T09:30:34,173   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
2025-08-31T09:30:34,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:30:34,177   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
2025-08-31T09:30:34,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:30:34,181   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
2025-08-31T09:30:34,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:30:34,185   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
2025-08-31T09:30:34,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:30:34,190   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
2025-08-31T09:30:34,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:30:34,194   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
2025-08-31T09:30:34,198   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:30:34,199   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
2025-08-31T09:30:34,202   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:30:34,203   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
2025-08-31T09:30:34,206   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:30:34,207   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
2025-08-31T09:30:34,211   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl
2025-08-31T09:30:34,212   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
2025-08-31T09:30:34,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:30:34,217   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
2025-08-31T09:30:34,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:30:34,221   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
2025-08-31T09:30:34,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:30:34,225   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
2025-08-31T09:30:34,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:30:34,230   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
2025-08-31T09:30:34,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2
2025-08-31T09:30:34,233   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
2025-08-31T09:30:34,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:30:34,237   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
2025-08-31T09:30:34,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:30:34,241   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
2025-08-31T09:30:34,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:30:34,246   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
2025-08-31T09:30:34,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:30:34,250   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
2025-08-31T09:30:34,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:30:34,254   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
2025-08-31T09:30:34,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:30:34,258   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
2025-08-31T09:30:34,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:30:34,262   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
2025-08-31T09:30:34,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:30:34,266   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
2025-08-31T09:30:34,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI
2025-08-31T09:30:34,270   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
2025-08-31T09:30:34,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:30:34,274   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
2025-08-31T09:30:34,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:30:34,278   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
2025-08-31T09:30:34,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:30:34,282   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
2025-08-31T09:30:34,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:30:34,286   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
2025-08-31T09:30:34,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:30:34,290   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
2025-08-31T09:30:34,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:30:34,294   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
2025-08-31T09:30:34,296   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:30:34,298   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
2025-08-31T09:30:34,300   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:30:34,302   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
2025-08-31T09:30:34,304   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:30:34,306   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
2025-08-31T09:30:34,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr
2025-08-31T09:30:34,310   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
2025-08-31T09:30:34,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:30:34,314   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
2025-08-31T09:30:34,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:30:34,319   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
2025-08-31T09:30:34,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:30:34,323   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
2025-08-31T09:30:34,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:30:34,327   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
2025-08-31T09:30:34,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:30:34,331   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
2025-08-31T09:30:34,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:30:34,335   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
2025-08-31T09:30:34,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:30:34,339   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
2025-08-31T09:30:34,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:30:34,343   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
2025-08-31T09:30:34,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr
2025-08-31T09:30:34,346   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
2025-08-31T09:30:34,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI
2025-08-31T09:30:34,351   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
2025-08-31T09:30:34,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr
2025-08-31T09:30:34,355   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
2025-08-31T09:30:34,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:30:34,359   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
2025-08-31T09:30:34,362   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3
2025-08-31T09:30:34,363   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
2025-08-31T09:30:34,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:30:34,367   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
2025-08-31T09:30:34,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:30:34,372   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
2025-08-31T09:30:34,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI
2025-08-31T09:30:34,375   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
2025-08-31T09:30:34,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH
2025-08-31T09:30:34,379   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
2025-08-31T09:30:34,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:30:34,383   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
2025-08-31T09:30:34,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:30:34,387   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
2025-08-31T09:30:34,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:30:34,391   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
2025-08-31T09:30:34,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe
2025-08-31T09:30:34,395   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
2025-08-31T09:30:34,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:30:34,399   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
2025-08-31T09:30:34,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:30:34,403   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
2025-08-31T09:30:34,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:30:34,407   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
2025-08-31T09:30:34,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:30:34,411   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
2025-08-31T09:30:34,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:30:34,416   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
2025-08-31T09:30:34,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:30:34,419   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
2025-08-31T09:30:34,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:30:34,424   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
2025-08-31T09:30:34,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:30:34,428   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
2025-08-31T09:30:34,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH
2025-08-31T09:30:34,432   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
2025-08-31T09:30:34,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:30:34,436   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
2025-08-31T09:30:34,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:30:34,440   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
2025-08-31T09:30:34,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:30:34,444   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
2025-08-31T09:30:34,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3
2025-08-31T09:30:34,449   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
2025-08-31T09:30:34,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:30:34,453   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
2025-08-31T09:30:34,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr
2025-08-31T09:30:34,457   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
2025-08-31T09:30:34,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:30:34,462   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
2025-08-31T09:30:34,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:30:34,466   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
2025-08-31T09:30:34,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:30:34,470   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
2025-08-31T09:30:34,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:30:34,474   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
2025-08-31T09:30:34,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:30:34,478   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
2025-08-31T09:30:34,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:30:34,482   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
2025-08-31T09:30:34,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:30:34,486   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
2025-08-31T09:30:34,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:30:34,491   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
2025-08-31T09:30:34,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI
2025-08-31T09:30:34,495   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
2025-08-31T09:30:34,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS
2025-08-31T09:30:34,499   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
2025-08-31T09:30:34,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH
2025-08-31T09:30:34,503   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
2025-08-31T09:30:34,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:30:34,507   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
2025-08-31T09:30:34,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:30:34,511   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
2025-08-31T09:30:34,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:30:34,515   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
2025-08-31T09:30:34,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:30:34,520   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
2025-08-31T09:30:34,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:30:34,524   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
2025-08-31T09:30:34,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:30:34,528   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
2025-08-31T09:30:34,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18
2025-08-31T09:30:34,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7
2025-08-31T09:30:34,535   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
2025-08-31T09:30:34,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:30:34,539   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
2025-08-31T09:30:34,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9
2025-08-31T09:30:34,543   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
2025-08-31T09:30:34,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2
2025-08-31T09:30:34,547   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
2025-08-31T09:30:34,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9
2025-08-31T09:30:34,551   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
2025-08-31T09:30:34,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4
2025-08-31T09:30:34,555   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
2025-08-31T09:30:34,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2
2025-08-31T09:30:34,560   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
2025-08-31T09:30:34,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:30:34,564   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
2025-08-31T09:30:34,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5
2025-08-31T09:30:34,568   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
2025-08-31T09:30:34,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4
2025-08-31T09:30:34,572   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
2025-08-31T09:30:34,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:30:34,576   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
2025-08-31T09:30:34,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6
2025-08-31T09:30:34,580   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
2025-08-31T09:30:34,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:30:34,584   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
2025-08-31T09:30:34,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:30:34,588   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
2025-08-31T09:30:34,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7
2025-08-31T09:30:34,592   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
2025-08-31T09:30:34,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o
2025-08-31T09:30:34,596   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
2025-08-31T09:30:34,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6
2025-08-31T09:30:34,601   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
2025-08-31T09:30:34,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5
2025-08-31T09:30:34,605   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
2025-08-31T09:30:34,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1
2025-08-31T09:30:34,609   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
2025-08-31T09:30:34,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:30:34,613   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
2025-08-31T09:30:34,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8
2025-08-31T09:30:34,617   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
2025-08-31T09:30:34,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:30:34,621   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
2025-08-31T09:30:34,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1
2025-08-31T09:30:34,625   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
2025-08-31T09:30:34,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8
2025-08-31T09:30:34,629   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
2025-08-31T09:30:34,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:30:34,634   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
2025-08-31T09:30:34,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3
2025-08-31T09:30:34,638   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
2025-08-31T09:30:34,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3
2025-08-31T09:30:34,641   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
2025-08-31T09:30:34,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:30:34,646   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
2025-08-31T09:30:34,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34
2025-08-31T09:30:34,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29
2025-08-31T09:30:34,652   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
2025-08-31T09:30:34,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28
2025-08-31T09:30:34,656   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
2025-08-31T09:30:34,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20
2025-08-31T09:30:34,660   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
2025-08-31T09:30:34,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9
2025-08-31T09:30:34,665   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
2025-08-31T09:30:34,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33
2025-08-31T09:30:34,669   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
2025-08-31T09:30:34,673   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24
2025-08-31T09:30:34,674   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
2025-08-31T09:30:34,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11
2025-08-31T09:30:34,678   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
2025-08-31T09:30:34,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15
2025-08-31T09:30:34,682   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
2025-08-31T09:30:34,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16
2025-08-31T09:30:34,686   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
2025-08-31T09:30:34,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19
2025-08-31T09:30:34,690   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
2025-08-31T09:30:34,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32
2025-08-31T09:30:34,694   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
2025-08-31T09:30:34,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8
2025-08-31T09:30:34,698   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
2025-08-31T09:30:34,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34
2025-08-31T09:30:34,702   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
2025-08-31T09:30:34,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7
2025-08-31T09:30:34,705   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
2025-08-31T09:30:34,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24
2025-08-31T09:30:34,709   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
2025-08-31T09:30:34,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17
2025-08-31T09:30:34,713   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
2025-08-31T09:30:34,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12
2025-08-31T09:30:34,718   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
2025-08-31T09:30:34,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21
2025-08-31T09:30:34,721   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
2025-08-31T09:30:34,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25
2025-08-31T09:30:34,725   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
2025-08-31T09:30:34,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1
2025-08-31T09:30:34,729   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
2025-08-31T09:30:34,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23
2025-08-31T09:30:34,733   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
2025-08-31T09:30:34,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13
2025-08-31T09:30:34,737   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
2025-08-31T09:30:34,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4
2025-08-31T09:30:34,741   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
2025-08-31T09:30:34,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13
2025-08-31T09:30:34,745   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
2025-08-31T09:30:34,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33
2025-08-31T09:30:34,749   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
2025-08-31T09:30:34,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15
2025-08-31T09:30:34,753   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
2025-08-31T09:30:34,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31
2025-08-31T09:30:34,757   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
2025-08-31T09:30:34,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3
2025-08-31T09:30:34,761   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
2025-08-31T09:30:34,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31
2025-08-31T09:30:34,765   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
2025-08-31T09:30:34,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22
2025-08-31T09:30:34,769   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
2025-08-31T09:30:34,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30
2025-08-31T09:30:34,773   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
2025-08-31T09:30:34,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6
2025-08-31T09:30:34,777   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
2025-08-31T09:30:34,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23
2025-08-31T09:30:34,781   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
2025-08-31T09:30:34,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10
2025-08-31T09:30:34,785   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
2025-08-31T09:30:34,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4
2025-08-31T09:30:34,789   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
2025-08-31T09:30:34,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8
2025-08-31T09:30:34,793   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
2025-08-31T09:30:34,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14
2025-08-31T09:30:34,797   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
2025-08-31T09:30:34,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16
2025-08-31T09:30:34,802   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
2025-08-31T09:30:34,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28
2025-08-31T09:30:34,806   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
2025-08-31T09:30:34,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18
2025-08-31T09:30:34,810   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
2025-08-31T09:30:34,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2
2025-08-31T09:30:34,814   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
2025-08-31T09:30:34,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32
2025-08-31T09:30:34,818   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
2025-08-31T09:30:34,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20
2025-08-31T09:30:34,822   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
2025-08-31T09:30:34,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3
2025-08-31T09:30:34,826   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
2025-08-31T09:30:34,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27
2025-08-31T09:30:34,830   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
2025-08-31T09:30:34,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11
2025-08-31T09:30:34,834   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
2025-08-31T09:30:34,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14
2025-08-31T09:30:34,838   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
2025-08-31T09:30:34,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26
2025-08-31T09:30:34,842   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
2025-08-31T09:30:34,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26
2025-08-31T09:30:34,846   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
2025-08-31T09:30:34,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21
2025-08-31T09:30:34,850   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
2025-08-31T09:30:34,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18
2025-08-31T09:30:34,853   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
2025-08-31T09:30:34,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5
2025-08-31T09:30:34,857   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
2025-08-31T09:30:34,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9
2025-08-31T09:30:34,861   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
2025-08-31T09:30:34,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1
2025-08-31T09:30:34,865   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
2025-08-31T09:30:34,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7
2025-08-31T09:30:34,870   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
2025-08-31T09:30:34,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29
2025-08-31T09:30:34,874   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
2025-08-31T09:30:34,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17
2025-08-31T09:30:34,877   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
2025-08-31T09:30:34,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12
2025-08-31T09:30:34,881   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
2025-08-31T09:30:34,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34
2025-08-31T09:30:34,885   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
2025-08-31T09:30:34,888   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10
2025-08-31T09:30:34,889   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
2025-08-31T09:30:34,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27
2025-08-31T09:30:34,893   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
2025-08-31T09:30:34,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25
2025-08-31T09:30:34,897   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
2025-08-31T09:30:34,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30
2025-08-31T09:30:34,901   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
2025-08-31T09:30:34,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13
2025-08-31T09:30:34,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2
2025-08-31T09:30:34,908   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
2025-08-31T09:30:34,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:30:34,912   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
2025-08-31T09:30:34,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2
2025-08-31T09:30:34,916   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
2025-08-31T09:30:34,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip
2025-08-31T09:30:34,920   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
2025-08-31T09:30:34,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8
2025-08-31T09:30:34,924   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
2025-08-31T09:30:34,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb
2025-08-31T09:30:34,928   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
2025-08-31T09:30:34,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36
2025-08-31T09:30:34,932   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
2025-08-31T09:30:34,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen
2025-08-31T09:30:34,935   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
2025-08-31T09:30:34,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35
2025-08-31T09:30:34,940   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
2025-08-31T09:30:34,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene
2025-08-31T09:30:34,944   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
2025-08-31T09:30:34,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl
2025-08-31T09:30:34,948   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
2025-08-31T09:30:34,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:30:34,952   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
2025-08-31T09:30:34,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3
2025-08-31T09:30:34,956   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
2025-08-31T09:30:34,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be
2025-08-31T09:30:34,960   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
2025-08-31T09:30:34,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:30:34,964   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
2025-08-31T09:30:34,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen
2025-08-31T09:30:34,969   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
2025-08-31T09:30:34,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36
2025-08-31T09:30:34,972   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
2025-08-31T09:30:34,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:30:34,976   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
2025-08-31T09:30:34,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2
2025-08-31T09:30:34,980   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
2025-08-31T09:30:34,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4
2025-08-31T09:30:34,984   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
2025-08-31T09:30:34,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2
2025-08-31T09:30:34,987   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
2025-08-31T09:30:34,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1
2025-08-31T09:30:34,991   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
2025-08-31T09:30:34,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne
2025-08-31T09:30:34,995   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
2025-08-31T09:30:34,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4
2025-08-31T09:30:35,000   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
2025-08-31T09:30:35,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6
2025-08-31T09:30:35,003   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
2025-08-31T09:30:35,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL
2025-08-31T09:30:35,007   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
2025-08-31T09:30:35,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage
2025-08-31T09:30:35,011   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
2025-08-31T09:30:35,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2
2025-08-31T09:30:35,015   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
2025-08-31T09:30:35,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35
2025-08-31T09:30:35,019   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
2025-08-31T09:30:35,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6
2025-08-31T09:30:35,023   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
2025-08-31T09:30:35,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26
2025-08-31T09:30:35,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2
2025-08-31T09:30:35,030   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
2025-08-31T09:30:35,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p
2025-08-31T09:30:35,033   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
2025-08-31T09:30:35,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p
2025-08-31T09:30:35,038   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
2025-08-31T09:30:35,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp
2025-08-31T09:30:35,042   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
2025-08-31T09:30:35,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp
2025-08-31T09:30:35,046   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
2025-08-31T09:30:35,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6
2025-08-31T09:30:35,050   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
2025-08-31T09:30:35,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp
2025-08-31T09:30:35,054   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
2025-08-31T09:30:35,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp
2025-08-31T09:30:35,059   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
2025-08-31T09:30:35,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s
2025-08-31T09:30:35,063   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
2025-08-31T09:30:35,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4
2025-08-31T09:30:35,067   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
2025-08-31T09:30:35,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass
2025-08-31T09:30:35,071   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
2025-08-31T09:30:35,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6
2025-08-31T09:30:35,075   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
2025-08-31T09:30:35,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap
2025-08-31T09:30:35,079   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
2025-08-31T09:30:35,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G
2025-08-31T09:30:35,084   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
2025-08-31T09:30:35,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly
2025-08-31T09:30:35,088   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
2025-08-31T09:30:35,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp
2025-08-31T09:30:35,092   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
2025-08-31T09:30:35,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp
2025-08-31T09:30:35,096   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
2025-08-31T09:30:35,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp
2025-08-31T09:30:35,100   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
2025-08-31T09:30:35,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op
2025-08-31T09:30:35,103   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
2025-08-31T09:30:35,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys
2025-08-31T09:30:35,107   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
2025-08-31T09:30:35,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp
2025-08-31T09:30:35,111   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
2025-08-31T09:30:35,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8
2025-08-31T09:30:35,115   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
2025-08-31T09:30:35,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p
2025-08-31T09:30:35,120   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
2025-08-31T09:30:35,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol
2025-08-31T09:30:35,123   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
2025-08-31T09:30:35,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp
2025-08-31T09:30:35,127   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
2025-08-31T09:30:35,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T
2025-08-31T09:30:35,131   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
2025-08-31T09:30:35,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p
2025-08-31T09:30:35,135   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
2025-08-31T09:30:35,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:30:35,139   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
2025-08-31T09:30:35,142   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p
2025-08-31T09:30:35,143   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
2025-08-31T09:30:35,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p
2025-08-31T09:30:35,147   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
2025-08-31T09:30:35,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p
2025-08-31T09:30:35,151   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
2025-08-31T09:30:35,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o
2025-08-31T09:30:35,155   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
2025-08-31T09:30:35,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4
2025-08-31T09:30:35,159   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
2025-08-31T09:30:35,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh
2025-08-31T09:30:35,163   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
2025-08-31T09:30:35,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p
2025-08-31T09:30:35,167   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
2025-08-31T09:30:35,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s
2025-08-31T09:30:35,171   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
2025-08-31T09:30:35,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:30:35,175   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
2025-08-31T09:30:35,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3
2025-08-31T09:30:35,179   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
2025-08-31T09:30:35,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp
2025-08-31T09:30:35,183   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
2025-08-31T09:30:35,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A
2025-08-31T09:30:35,187   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
2025-08-31T09:30:35,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C
2025-08-31T09:30:35,191   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
2025-08-31T09:30:35,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6
2025-08-31T09:30:35,194   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
2025-08-31T09:30:35,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2
2025-08-31T09:30:35,198   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
2025-08-31T09:30:35,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp
2025-08-31T09:30:35,202   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
2025-08-31T09:30:35,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2
2025-08-31T09:30:35,206   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
2025-08-31T09:30:35,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p
2025-08-31T09:30:35,209   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
2025-08-31T09:30:35,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p
2025-08-31T09:30:35,213   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
2025-08-31T09:30:35,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl
2025-08-31T09:30:35,218   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
2025-08-31T09:30:35,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p
2025-08-31T09:30:35,221   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
2025-08-31T09:30:35,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol
2025-08-31T09:30:35,225   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
2025-08-31T09:30:35,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp
2025-08-31T09:30:35,228   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
2025-08-31T09:30:35,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3
2025-08-31T09:30:35,232   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
2025-08-31T09:30:35,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27
2025-08-31T09:30:35,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:30:35,238   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
2025-08-31T09:30:35,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:30:35,242   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
2025-08-31T09:30:35,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:30:35,246   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
2025-08-31T09:30:35,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:30:35,250   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
2025-08-31T09:30:35,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:30:35,254   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
2025-08-31T09:30:35,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:30:35,258   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
2025-08-31T09:30:35,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:30:35,262   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
2025-08-31T09:30:35,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2
2025-08-31T09:30:35,266   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
2025-08-31T09:30:35,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:30:35,270   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
2025-08-31T09:30:35,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:30:35,274   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
2025-08-31T09:30:35,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:30:35,278   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
2025-08-31T09:30:35,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:30:35,282   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
2025-08-31T09:30:35,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:30:35,286   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
2025-08-31T09:30:35,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:30:35,290   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
2025-08-31T09:30:35,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:30:35,294   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
2025-08-31T09:30:35,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:30:35,298   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
2025-08-31T09:30:35,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:30:35,302   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
2025-08-31T09:30:35,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:30:35,306   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
2025-08-31T09:30:35,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:30:35,310   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
2025-08-31T09:30:35,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:30:35,314   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
2025-08-31T09:30:35,316   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:30:35,317   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
2025-08-31T09:30:35,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:30:35,321   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
2025-08-31T09:30:35,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:30:35,325   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
2025-08-31T09:30:35,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:30:35,329   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
2025-08-31T09:30:35,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:30:35,333   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
2025-08-31T09:30:35,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:30:35,337   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
2025-08-31T09:30:35,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:30:35,341   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
2025-08-31T09:30:35,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:30:35,345   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
2025-08-31T09:30:35,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:30:35,349   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
2025-08-31T09:30:35,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:30:35,353   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
2025-08-31T09:30:35,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:30:35,357   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
2025-08-31T09:30:35,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:30:35,361   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
2025-08-31T09:30:35,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:30:35,365   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
2025-08-31T09:30:35,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2
2025-08-31T09:30:35,369   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
2025-08-31T09:30:35,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:30:35,373   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
2025-08-31T09:30:35,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:30:35,376   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
2025-08-31T09:30:35,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:30:35,380   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
2025-08-31T09:30:35,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:30:35,384   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
2025-08-31T09:30:35,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:30:35,387   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
2025-08-31T09:30:35,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:30:35,391   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
2025-08-31T09:30:35,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51
2025-08-31T09:30:35,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:30:35,399   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
2025-08-31T09:30:35,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:30:35,403   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
2025-08-31T09:30:35,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane
2025-08-31T09:30:35,407   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
2025-08-31T09:30:35,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO
2025-08-31T09:30:35,411   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
2025-08-31T09:30:35,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO
2025-08-31T09:30:35,414   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
2025-08-31T09:30:35,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:30:35,418   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
2025-08-31T09:30:35,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne
2025-08-31T09:30:35,422   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
2025-08-31T09:30:35,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran
2025-08-31T09:30:35,426   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
2025-08-31T09:30:35,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:30:35,430   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
2025-08-31T09:30:35,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:30:35,434   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
2025-08-31T09:30:35,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2
2025-08-31T09:30:35,438   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
2025-08-31T09:30:35,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2
2025-08-31T09:30:35,441   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
2025-08-31T09:30:35,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene
2025-08-31T09:30:35,445   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
2025-08-31T09:30:35,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:30:35,449   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
2025-08-31T09:30:35,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:30:35,453   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
2025-08-31T09:30:35,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:30:35,457   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
2025-08-31T09:30:35,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:30:35,460   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
2025-08-31T09:30:35,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:30:35,464   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
2025-08-31T09:30:35,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol
2025-08-31T09:30:35,468   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
2025-08-31T09:30:35,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:30:35,471   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
2025-08-31T09:30:35,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:30:35,475   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
2025-08-31T09:30:35,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:30:35,479   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
2025-08-31T09:30:35,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:30:35,483   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
2025-08-31T09:30:35,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene
2025-08-31T09:30:35,487   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
2025-08-31T09:30:35,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:30:35,491   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
2025-08-31T09:30:35,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne
2025-08-31T09:30:35,495   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
2025-08-31T09:30:35,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:30:35,499   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
2025-08-31T09:30:35,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:30:35,503   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
2025-08-31T09:30:35,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:30:35,507   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
2025-08-31T09:30:35,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene
2025-08-31T09:30:35,511   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
2025-08-31T09:30:35,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:30:35,515   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
2025-08-31T09:30:35,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:30:35,519   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
2025-08-31T09:30:35,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:30:35,522   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
2025-08-31T09:30:35,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:30:35,526   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
2025-08-31T09:30:35,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:30:35,530   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
2025-08-31T09:30:35,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:30:35,534   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
2025-08-31T09:30:35,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:30:35,538   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
2025-08-31T09:30:35,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:30:35,542   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
2025-08-31T09:30:35,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2
2025-08-31T09:30:35,546   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
2025-08-31T09:30:35,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine
2025-08-31T09:30:35,550   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
2025-08-31T09:30:35,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:30:35,553   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
2025-08-31T09:30:35,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene
2025-08-31T09:30:35,558   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
2025-08-31T09:30:35,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione
2025-08-31T09:30:35,562   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
2025-08-31T09:30:35,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:30:35,566   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
2025-08-31T09:30:35,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:30:35,570   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
2025-08-31T09:30:35,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:30:35,574   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
2025-08-31T09:30:35,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2
2025-08-31T09:30:35,578   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
2025-08-31T09:30:35,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol
2025-08-31T09:30:35,582   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
2025-08-31T09:30:35,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:30:35,586   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
2025-08-31T09:30:35,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:30:35,590   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
2025-08-31T09:30:35,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:30:35,594   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
2025-08-31T09:30:35,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol
2025-08-31T09:30:35,598   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
2025-08-31T09:30:35,602   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:30:35,603   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
2025-08-31T09:30:35,606   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:30:35,608   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
2025-08-31T09:30:35,610   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne
2025-08-31T09:30:35,612   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
2025-08-31T09:30:35,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH
2025-08-31T09:30:35,616   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
2025-08-31T09:30:35,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane
2025-08-31T09:30:35,620   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
2025-08-31T09:30:35,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol
2025-08-31T09:30:35,624   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
2025-08-31T09:30:35,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:30:35,628   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
2025-08-31T09:30:35,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:30:35,632   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
2025-08-31T09:30:35,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3
2025-08-31T09:30:35,636   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
2025-08-31T09:30:35,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2
2025-08-31T09:30:35,640   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
2025-08-31T09:30:35,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane
2025-08-31T09:30:35,644   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
2025-08-31T09:30:35,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine
2025-08-31T09:30:35,648   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
2025-08-31T09:30:35,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S
2025-08-31T09:30:35,651   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
2025-08-31T09:30:35,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene
2025-08-31T09:30:35,655   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
2025-08-31T09:30:35,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole
2025-08-31T09:30:35,659   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
2025-08-31T09:30:35,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene
2025-08-31T09:30:35,663   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
2025-08-31T09:30:35,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:30:35,667   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
2025-08-31T09:30:35,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:30:35,671   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
2025-08-31T09:30:35,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN
2025-08-31T09:30:35,675   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
2025-08-31T09:30:35,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne
2025-08-31T09:30:35,679   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
2025-08-31T09:30:35,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane
2025-08-31T09:30:35,683   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
2025-08-31T09:30:35,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:30:35,687   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
2025-08-31T09:30:35,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O
2025-08-31T09:30:35,690   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
2025-08-31T09:30:35,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:30:35,694   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
2025-08-31T09:30:35,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene
2025-08-31T09:30:35,698   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
2025-08-31T09:30:35,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN
2025-08-31T09:30:35,702   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
2025-08-31T09:30:35,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene
2025-08-31T09:30:35,706   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
2025-08-31T09:30:35,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl
2025-08-31T09:30:35,710   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
2025-08-31T09:30:35,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:30:35,714   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
2025-08-31T09:30:35,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:30:35,718   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
2025-08-31T09:30:35,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:30:35,722   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
2025-08-31T09:30:35,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:30:35,726   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
2025-08-31T09:30:35,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O
2025-08-31T09:30:35,730   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
2025-08-31T09:30:35,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:30:35,734   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
2025-08-31T09:30:35,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran
2025-08-31T09:30:35,738   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
2025-08-31T09:30:35,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05
2025-08-31T09:30:35,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES
2025-08-31T09:30:35,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18
2025-08-31T09:30:35,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne
2025-08-31T09:30:35,750   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
2025-08-31T09:30:35,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6
2025-08-31T09:30:35,754   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
2025-08-31T09:30:35,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2
2025-08-31T09:30:35,758   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
2025-08-31T09:30:35,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe
2025-08-31T09:30:35,762   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
2025-08-31T09:30:35,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar
2025-08-31T09:30:35,766   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
2025-08-31T09:30:35,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe
2025-08-31T09:30:35,769   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
2025-08-31T09:30:35,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr
2025-08-31T09:30:35,773   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
2025-08-31T09:30:35,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar
2025-08-31T09:30:35,777   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
2025-08-31T09:30:35,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf
2025-08-31T09:30:35,781   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
2025-08-31T09:30:35,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3
2025-08-31T09:30:35,785   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
2025-08-31T09:30:35,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4
2025-08-31T09:30:35,789   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
2025-08-31T09:30:35,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz
2025-08-31T09:30:35,792   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
2025-08-31T09:30:35,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4
2025-08-31T09:30:35,796   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
2025-08-31T09:30:35,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr
2025-08-31T09:30:35,800   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
2025-08-31T09:30:35,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3
2025-08-31T09:30:35,804   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
2025-08-31T09:30:35,807   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3
2025-08-31T09:30:35,809   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
2025-08-31T09:30:35,811   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2
2025-08-31T09:30:35,812   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
2025-08-31T09:30:35,815   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2
2025-08-31T09:30:35,816   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
2025-08-31T09:30:35,819   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne
2025-08-31T09:30:35,821   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
2025-08-31T09:30:35,823   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6
2025-08-31T09:30:35,824   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
2025-08-31T09:30:35,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr
2025-08-31T09:30:35,829   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
2025-08-31T09:30:35,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr
2025-08-31T09:30:35,833   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
2025-08-31T09:30:35,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne
2025-08-31T09:30:35,837   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
2025-08-31T09:30:35,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar
2025-08-31T09:30:35,841   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
2025-08-31T09:30:35,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2
2025-08-31T09:30:35,845   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
2025-08-31T09:30:35,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC
2025-08-31T09:30:35,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117
2025-08-31T09:30:35,852   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
2025-08-31T09:30:35,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23
2025-08-31T09:30:35,856   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
2025-08-31T09:30:35,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121
2025-08-31T09:30:35,860   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
2025-08-31T09:30:35,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11
2025-08-31T09:30:35,863   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
2025-08-31T09:30:35,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67
2025-08-31T09:30:35,868   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
2025-08-31T09:30:35,871   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118
2025-08-31T09:30:35,872   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
2025-08-31T09:30:35,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68
2025-08-31T09:30:35,876   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
2025-08-31T09:30:35,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56
2025-08-31T09:30:35,880   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
2025-08-31T09:30:35,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6
2025-08-31T09:30:35,884   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
2025-08-31T09:30:35,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8
2025-08-31T09:30:35,888   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
2025-08-31T09:30:35,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47
2025-08-31T09:30:35,892   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
2025-08-31T09:30:35,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88
2025-08-31T09:30:35,897   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
2025-08-31T09:30:35,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32
2025-08-31T09:30:35,901   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
2025-08-31T09:30:35,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39
2025-08-31T09:30:35,905   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
2025-08-31T09:30:35,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14
2025-08-31T09:30:35,909   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
2025-08-31T09:30:35,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34
2025-08-31T09:30:35,913   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
2025-08-31T09:30:35,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22
2025-08-31T09:30:35,918   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
2025-08-31T09:30:35,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59
2025-08-31T09:30:35,922   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
2025-08-31T09:30:35,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51
2025-08-31T09:30:35,926   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
2025-08-31T09:30:35,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60
2025-08-31T09:30:35,930   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
2025-08-31T09:30:35,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128
2025-08-31T09:30:35,934   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
2025-08-31T09:30:35,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113
2025-08-31T09:30:35,938   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
2025-08-31T09:30:35,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82
2025-08-31T09:30:35,942   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
2025-08-31T09:30:35,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24
2025-08-31T09:30:35,946   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
2025-08-31T09:30:35,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33
2025-08-31T09:30:35,951   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
2025-08-31T09:30:35,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25
2025-08-31T09:30:35,955   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
2025-08-31T09:30:35,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26
2025-08-31T09:30:35,959   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
2025-08-31T09:30:35,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1
2025-08-31T09:30:35,963   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
2025-08-31T09:30:35,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52
2025-08-31T09:30:35,966   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
2025-08-31T09:30:35,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66
2025-08-31T09:30:35,970   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
2025-08-31T09:30:35,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94
2025-08-31T09:30:35,974   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
2025-08-31T09:30:35,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73
2025-08-31T09:30:35,978   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
2025-08-31T09:30:35,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13
2025-08-31T09:30:35,982   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
2025-08-31T09:30:35,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97
2025-08-31T09:30:35,986   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
2025-08-31T09:30:35,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45
2025-08-31T09:30:35,990   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
2025-08-31T09:30:35,993   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62
2025-08-31T09:30:35,994   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
2025-08-31T09:30:35,997   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18
2025-08-31T09:30:35,998   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
2025-08-31T09:30:36,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58
2025-08-31T09:30:36,002   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
2025-08-31T09:30:36,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104
2025-08-31T09:30:36,006   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
2025-08-31T09:30:36,008   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40
2025-08-31T09:30:36,009   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
2025-08-31T09:30:36,012   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126
2025-08-31T09:30:36,013   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
2025-08-31T09:30:36,016   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61
2025-08-31T09:30:36,017   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
2025-08-31T09:30:36,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30
2025-08-31T09:30:36,021   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
2025-08-31T09:30:36,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21
2025-08-31T09:30:36,025   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
2025-08-31T09:30:36,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106
2025-08-31T09:30:36,029   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
2025-08-31T09:30:36,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100
2025-08-31T09:30:36,033   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
2025-08-31T09:30:36,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57
2025-08-31T09:30:36,037   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
2025-08-31T09:30:36,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6
2025-08-31T09:30:36,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23
2025-08-31T09:30:36,043   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
2025-08-31T09:30:36,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B
2025-08-31T09:30:36,047   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
2025-08-31T09:30:36,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A
2025-08-31T09:30:36,051   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
2025-08-31T09:30:36,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A
2025-08-31T09:30:36,055   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
2025-08-31T09:30:36,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A
2025-08-31T09:30:36,059   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
2025-08-31T09:30:36,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22
2025-08-31T09:30:36,062   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
2025-08-31T09:30:36,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B
2025-08-31T09:30:36,066   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
2025-08-31T09:30:36,069   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B
2025-08-31T09:30:36,070   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
2025-08-31T09:30:36,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B
2025-08-31T09:30:36,074   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
2025-08-31T09:30:36,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A
2025-08-31T09:30:36,078   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
2025-08-31T09:30:36,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24
2025-08-31T09:30:36,082   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
2025-08-31T09:30:36,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25
2025-08-31T09:30:36,085   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
2025-08-31T09:30:36,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B
2025-08-31T09:30:36,089   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
2025-08-31T09:30:36,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26
2025-08-31T09:30:36,093   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
2025-08-31T09:30:36,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A
2025-08-31T09:30:36,096   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
2025-08-31T09:30:36,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27
2025-08-31T09:30:36,100   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
2025-08-31T09:30:36,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B
2025-08-31T09:30:36,104   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
2025-08-31T09:30:36,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A
2025-08-31T09:30:36,107   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
2025-08-31T09:30:36,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF
2025-08-31T09:30:36,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23
2025-08-31T09:30:36,114   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
2025-08-31T09:30:36,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43
2025-08-31T09:30:36,118   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
2025-08-31T09:30:36,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48
2025-08-31T09:30:36,122   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
2025-08-31T09:30:36,125   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11
2025-08-31T09:30:36,126   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
2025-08-31T09:30:36,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31
2025-08-31T09:30:36,130   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
2025-08-31T09:30:36,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15
2025-08-31T09:30:36,134   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
2025-08-31T09:30:36,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20
2025-08-31T09:30:36,138   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
2025-08-31T09:30:36,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6
2025-08-31T09:30:36,142   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
2025-08-31T09:30:36,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36
2025-08-31T09:30:36,146   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
2025-08-31T09:30:36,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8
2025-08-31T09:30:36,149   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
2025-08-31T09:30:36,152   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9
2025-08-31T09:30:36,153   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
2025-08-31T09:30:36,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47
2025-08-31T09:30:36,157   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
2025-08-31T09:30:36,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32
2025-08-31T09:30:36,161   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
2025-08-31T09:30:36,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39
2025-08-31T09:30:36,165   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
2025-08-31T09:30:36,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14
2025-08-31T09:30:36,169   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
2025-08-31T09:30:36,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34
2025-08-31T09:30:36,173   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
2025-08-31T09:30:36,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38
2025-08-31T09:30:36,177   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
2025-08-31T09:30:36,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22
2025-08-31T09:30:36,181   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
2025-08-31T09:30:36,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51
2025-08-31T09:30:36,185   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
2025-08-31T09:30:36,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29
2025-08-31T09:30:36,189   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
2025-08-31T09:30:36,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2
2025-08-31T09:30:36,193   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
2025-08-31T09:30:36,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19
2025-08-31T09:30:36,197   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
2025-08-31T09:30:36,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24
2025-08-31T09:30:36,201   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
2025-08-31T09:30:36,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33
2025-08-31T09:30:36,204   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
2025-08-31T09:30:36,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25
2025-08-31T09:30:36,209   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
2025-08-31T09:30:36,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28
2025-08-31T09:30:36,213   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
2025-08-31T09:30:36,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35
2025-08-31T09:30:36,217   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
2025-08-31T09:30:36,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50
2025-08-31T09:30:36,221   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
2025-08-31T09:30:36,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16
2025-08-31T09:30:36,225   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
2025-08-31T09:30:36,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26
2025-08-31T09:30:36,230   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
2025-08-31T09:30:36,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1
2025-08-31T09:30:36,234   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
2025-08-31T09:30:36,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52
2025-08-31T09:30:36,238   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
2025-08-31T09:30:36,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10
2025-08-31T09:30:36,242   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
2025-08-31T09:30:36,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5
2025-08-31T09:30:36,247   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
2025-08-31T09:30:36,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41
2025-08-31T09:30:36,251   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
2025-08-31T09:30:36,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37
2025-08-31T09:30:36,255   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
2025-08-31T09:30:36,258   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49
2025-08-31T09:30:36,259   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
2025-08-31T09:30:36,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12
2025-08-31T09:30:36,263   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
2025-08-31T09:30:36,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13
2025-08-31T09:30:36,267   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
2025-08-31T09:30:36,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45
2025-08-31T09:30:36,271   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
2025-08-31T09:30:36,274   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18
2025-08-31T09:30:36,275   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
2025-08-31T09:30:36,278   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7
2025-08-31T09:30:36,279   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
2025-08-31T09:30:36,282   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40
2025-08-31T09:30:36,284   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
2025-08-31T09:30:36,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30
2025-08-31T09:30:36,288   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
2025-08-31T09:30:36,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21
2025-08-31T09:30:36,292   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
2025-08-31T09:30:36,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27
2025-08-31T09:30:36,296   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
2025-08-31T09:30:36,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3
2025-08-31T09:30:36,300   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
2025-08-31T09:30:36,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44
2025-08-31T09:30:36,304   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
2025-08-31T09:30:36,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42
2025-08-31T09:30:36,308   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
2025-08-31T09:30:36,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46
2025-08-31T09:30:36,312   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
2025-08-31T09:30:36,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4
2025-08-31T09:30:36,316   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
2025-08-31T09:30:36,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17
2025-08-31T09:30:36,320   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
2025-08-31T09:30:36,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27
2025-08-31T09:30:36,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4
2025-08-31T09:30:36,326   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
2025-08-31T09:30:36,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs
2025-08-31T09:30:36,330   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
2025-08-31T09:30:36,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm
2025-08-31T09:30:36,334   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
2025-08-31T09:30:36,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5
2025-08-31T09:30:36,338   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
2025-08-31T09:30:36,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d
2025-08-31T09:30:36,342   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
2025-08-31T09:30:36,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4
2025-08-31T09:30:36,346   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
2025-08-31T09:30:36,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O
2025-08-31T09:30:36,349   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
2025-08-31T09:30:36,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2
2025-08-31T09:30:36,353   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
2025-08-31T09:30:36,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6
2025-08-31T09:30:36,357   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
2025-08-31T09:30:36,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3
2025-08-31T09:30:36,361   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
2025-08-31T09:30:36,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es
2025-08-31T09:30:36,365   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
2025-08-31T09:30:36,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2
2025-08-31T09:30:36,369   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
2025-08-31T09:30:36,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3
2025-08-31T09:30:36,373   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
2025-08-31T09:30:36,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b
2025-08-31T09:30:36,377   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
2025-08-31T09:30:36,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs
2025-08-31T09:30:36,381   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
2025-08-31T09:30:36,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2
2025-08-31T09:30:36,385   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
2025-08-31T09:30:36,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20
2025-08-31T09:30:36,389   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
2025-08-31T09:30:36,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d
2025-08-31T09:30:36,394   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
2025-08-31T09:30:36,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc
2025-08-31T09:30:36,398   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
2025-08-31T09:30:36,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5
2025-08-31T09:30:36,402   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
2025-08-31T09:30:36,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3
2025-08-31T09:30:36,407   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
2025-08-31T09:30:36,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2
2025-08-31T09:30:36,411   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
2025-08-31T09:30:36,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm
2025-08-31T09:30:36,415   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
2025-08-31T09:30:36,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op
2025-08-31T09:30:36,419   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
2025-08-31T09:30:36,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c
2025-08-31T09:30:36,422   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
2025-08-31T09:30:36,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4
2025-08-31T09:30:36,426   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
2025-08-31T09:30:36,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d
2025-08-31T09:30:36,431   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
2025-08-31T09:30:36,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O
2025-08-31T09:30:36,434   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
2025-08-31T09:30:36,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O
2025-08-31T09:30:36,439   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
2025-08-31T09:30:36,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6
2025-08-31T09:30:36,442   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
2025-08-31T09:30:36,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28
2025-08-31T09:30:36,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2
2025-08-31T09:30:36,448   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
2025-08-31T09:30:36,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi
2025-08-31T09:30:36,452   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
2025-08-31T09:30:36,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl
2025-08-31T09:30:36,455   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
2025-08-31T09:30:36,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o
2025-08-31T09:30:36,459   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
2025-08-31T09:30:36,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s
2025-08-31T09:30:36,463   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
2025-08-31T09:30:36,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2
2025-08-31T09:30:36,467   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
2025-08-31T09:30:36,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr
2025-08-31T09:30:36,471   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
2025-08-31T09:30:36,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3
2025-08-31T09:30:36,475   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
2025-08-31T09:30:36,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3
2025-08-31T09:30:36,479   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
2025-08-31T09:30:36,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2
2025-08-31T09:30:36,483   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
2025-08-31T09:30:36,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o
2025-08-31T09:30:36,486   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
2025-08-31T09:30:36,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi
2025-08-31T09:30:36,490   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
2025-08-31T09:30:36,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3
2025-08-31T09:30:36,493   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
2025-08-31T09:30:36,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr
2025-08-31T09:30:36,497   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
2025-08-31T09:30:36,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr
2025-08-31T09:30:36,501   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
2025-08-31T09:30:36,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr
2025-08-31T09:30:36,505   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
2025-08-31T09:30:36,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o
2025-08-31T09:30:36,509   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
2025-08-31T09:30:36,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl
2025-08-31T09:30:36,512   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
2025-08-31T09:30:36,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl
2025-08-31T09:30:36,516   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
2025-08-31T09:30:36,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s
2025-08-31T09:30:36,520   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
2025-08-31T09:30:36,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi
2025-08-31T09:30:36,524   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
2025-08-31T09:30:36,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3
2025-08-31T09:30:36,528   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
2025-08-31T09:30:36,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o
2025-08-31T09:30:36,532   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
2025-08-31T09:30:36,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4
2025-08-31T09:30:36,535   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
2025-08-31T09:30:36,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2
2025-08-31T09:30:36,539   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
2025-08-31T09:30:36,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3
2025-08-31T09:30:36,543   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
2025-08-31T09:30:36,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o
2025-08-31T09:30:36,547   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
2025-08-31T09:30:36,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s
2025-08-31T09:30:36,551   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
2025-08-31T09:30:36,553   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi
2025-08-31T09:30:36,554   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
2025-08-31T09:30:36,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl
2025-08-31T09:30:36,558   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
2025-08-31T09:30:36,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr
2025-08-31T09:30:36,562   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
2025-08-31T09:30:36,565   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi
2025-08-31T09:30:36,566   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
2025-08-31T09:30:36,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s
2025-08-31T09:30:36,570   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
2025-08-31T09:30:36,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2
2025-08-31T09:30:36,574   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
2025-08-31T09:30:36,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3
2025-08-31T09:30:36,577   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
2025-08-31T09:30:36,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2
2025-08-31T09:30:36,581   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
2025-08-31T09:30:36,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl
2025-08-31T09:30:36,585   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
2025-08-31T09:30:36,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3
2025-08-31T09:30:36,589   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
2025-08-31T09:30:36,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23
2025-08-31T09:30:36,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p
2025-08-31T09:30:36,595   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
2025-08-31T09:30:36,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d
2025-08-31T09:30:36,599   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
2025-08-31T09:30:36,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a
2025-08-31T09:30:36,603   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
2025-08-31T09:30:36,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a
2025-08-31T09:30:36,607   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
2025-08-31T09:30:36,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m
2025-08-31T09:30:36,611   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
2025-08-31T09:30:36,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p
2025-08-31T09:30:36,614   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
2025-08-31T09:30:36,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p
2025-08-31T09:30:36,619   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
2025-08-31T09:30:36,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a
2025-08-31T09:30:36,623   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
2025-08-31T09:30:36,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f
2025-08-31T09:30:36,626   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
2025-08-31T09:30:36,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p
2025-08-31T09:30:36,630   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
2025-08-31T09:30:36,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a
2025-08-31T09:30:36,634   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
2025-08-31T09:30:36,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a
2025-08-31T09:30:36,637   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
2025-08-31T09:30:36,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d
2025-08-31T09:30:36,641   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
2025-08-31T09:30:36,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b
2025-08-31T09:30:36,645   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
2025-08-31T09:30:36,648   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g
2025-08-31T09:30:36,649   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
2025-08-31T09:30:36,652   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b
2025-08-31T09:30:36,654   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
2025-08-31T09:30:36,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa
2025-08-31T09:30:36,658   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
2025-08-31T09:30:36,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e
2025-08-31T09:30:36,663   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
2025-08-31T09:30:36,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b
2025-08-31T09:30:36,667   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
2025-08-31T09:30:36,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b
2025-08-31T09:30:36,672   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
2025-08-31T09:30:36,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a
2025-08-31T09:30:36,676   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
2025-08-31T09:30:36,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z
2025-08-31T09:30:36,679   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
2025-08-31T09:30:36,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c
2025-08-31T09:30:36,683   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
2025-08-31T09:30:36,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h
2025-08-31T09:30:36,687   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
2025-08-31T09:30:36,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12
2025-08-31T09:30:36,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A
2025-08-31T09:30:36,693   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
2025-08-31T09:30:36,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B
2025-08-31T09:30:36,697   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
2025-08-31T09:30:36,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B
2025-08-31T09:30:36,701   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
2025-08-31T09:30:36,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B
2025-08-31T09:30:36,705   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
2025-08-31T09:30:36,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B
2025-08-31T09:30:36,709   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
2025-08-31T09:30:36,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A
2025-08-31T09:30:36,713   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
2025-08-31T09:30:36,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A
2025-08-31T09:30:36,717   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
2025-08-31T09:30:36,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A
2025-08-31T09:30:36,721   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
2025-08-31T09:30:36,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N
2025-08-31T09:30:36,725   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
2025-08-31T09:30:36,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B
2025-08-31T09:30:36,729   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
2025-08-31T09:30:36,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B
2025-08-31T09:30:36,732   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
2025-08-31T09:30:36,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O
2025-08-31T09:30:36,736   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
2025-08-31T09:30:36,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A
2025-08-31T09:30:36,740   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
2025-08-31T09:30:36,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A
2025-08-31T09:30:36,744   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
2025-08-31T09:30:36,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N
2025-08-31T09:30:36,748   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
2025-08-31T09:30:36,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B
2025-08-31T09:30:36,752   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
2025-08-31T09:30:36,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O
2025-08-31T09:30:36,756   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
2025-08-31T09:30:36,758   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N
2025-08-31T09:30:36,760   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
2025-08-31T09:30:36,762   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A
2025-08-31T09:30:36,763   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
2025-08-31T09:30:36,766   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B
2025-08-31T09:30:36,767   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
2025-08-31T09:30:36,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N
2025-08-31T09:30:36,771   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
2025-08-31T09:30:36,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A
2025-08-31T09:30:36,775   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
2025-08-31T09:30:36,778   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL
2025-08-31T09:30:36,779   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
2025-08-31T09:30:36,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A
2025-08-31T09:30:36,783   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
2025-08-31T09:30:36,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A
2025-08-31T09:30:36,786   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
2025-08-31T09:30:36,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B
2025-08-31T09:30:36,790   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
2025-08-31T09:30:36,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O
2025-08-31T09:30:36,794   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
2025-08-31T09:30:36,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B
2025-08-31T09:30:36,798   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
2025-08-31T09:30:36,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A
2025-08-31T09:30:36,802   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
2025-08-31T09:30:36,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O
2025-08-31T09:30:36,806   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
2025-08-31T09:30:36,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL
2025-08-31T09:30:36,810   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
2025-08-31T09:30:36,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B
2025-08-31T09:30:36,814   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
2025-08-31T09:30:36,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL
2025-08-31T09:30:36,817   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
2025-08-31T09:30:36,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL
2025-08-31T09:30:36,821   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
2025-08-31T09:30:36,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A
2025-08-31T09:30:36,825   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
2025-08-31T09:30:36,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B
2025-08-31T09:30:36,829   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
2025-08-31T09:30:36,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24
2025-08-31T09:30:36,834   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS
2025-08-31T09:30:36,835   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
2025-08-31T09:30:36,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3
2025-08-31T09:30:36,839   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
2025-08-31T09:30:36,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene
2025-08-31T09:30:36,842   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
2025-08-31T09:30:36,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS
2025-08-31T09:30:36,846   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
2025-08-31T09:30:36,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene
2025-08-31T09:30:36,850   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
2025-08-31T09:30:36,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS
2025-08-31T09:30:36,854   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
2025-08-31T09:30:36,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS
2025-08-31T09:30:36,861   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
2025-08-31T09:30:36,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS
2025-08-31T09:30:36,865   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
2025-08-31T09:30:36,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS
2025-08-31T09:30:36,870   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
2025-08-31T09:30:36,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS
2025-08-31T09:30:36,874   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
2025-08-31T09:30:36,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene
2025-08-31T09:30:36,877   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
2025-08-31T09:30:36,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS
2025-08-31T09:30:36,881   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
2025-08-31T09:30:36,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS
2025-08-31T09:30:36,885   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
2025-08-31T09:30:36,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene
2025-08-31T09:30:36,889   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
2025-08-31T09:30:36,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS
2025-08-31T09:30:36,892   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
2025-08-31T09:30:36,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene
2025-08-31T09:30:36,897   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
2025-08-31T09:30:36,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether
2025-08-31T09:30:36,900   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
2025-08-31T09:30:36,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole
2025-08-31T09:30:36,904   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
2025-08-31T09:30:36,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3
2025-08-31T09:30:36,909   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
2025-08-31T09:30:36,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS
2025-08-31T09:30:36,913   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
2025-08-31T09:30:36,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene
2025-08-31T09:30:36,916   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
2025-08-31T09:30:36,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene
2025-08-31T09:30:36,920   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
2025-08-31T09:30:36,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene
2025-08-31T09:30:36,923   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
2025-08-31T09:30:36,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph
2025-08-31T09:30:36,927   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
2025-08-31T09:30:36,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene
2025-08-31T09:30:36,931   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
2025-08-31T09:30:36,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene
2025-08-31T09:30:36,935   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
2025-08-31T09:30:36,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS
2025-08-31T09:30:36,939   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
2025-08-31T09:30:36,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS
2025-08-31T09:30:36,943   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
2025-08-31T09:30:36,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS
2025-08-31T09:30:36,947   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
2025-08-31T09:30:36,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS
2025-08-31T09:30:36,951   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
2025-08-31T09:30:36,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S
2025-08-31T09:30:36,954   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
2025-08-31T09:30:36,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine
2025-08-31T09:30:36,959   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
2025-08-31T09:30:36,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3
2025-08-31T09:30:36,962   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
2025-08-31T09:30:36,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3
2025-08-31T09:30:36,966   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
2025-08-31T09:30:36,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS
2025-08-31T09:30:36,970   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
2025-08-31T09:30:36,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS
2025-08-31T09:30:36,974   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
2025-08-31T09:30:36,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3
2025-08-31T09:30:36,978   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
2025-08-31T09:30:36,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS
2025-08-31T09:30:36,982   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
2025-08-31T09:30:36,985   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS
2025-08-31T09:30:36,986   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
2025-08-31T09:30:36,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS
2025-08-31T09:30:36,990   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
2025-08-31T09:30:36,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether
2025-08-31T09:30:36,993   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
2025-08-31T09:30:36,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS
2025-08-31T09:30:36,997   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
2025-08-31T09:30:37,000   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS
2025-08-31T09:30:37,001   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
2025-08-31T09:30:37,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O
2025-08-31T09:30:37,005   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
2025-08-31T09:30:37,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS
2025-08-31T09:30:37,009   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
2025-08-31T09:30:37,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS
2025-08-31T09:30:37,012   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
2025-08-31T09:30:37,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2
2025-08-31T09:30:37,016   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
2025-08-31T09:30:37,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene
2025-08-31T09:30:37,020   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
2025-08-31T09:30:37,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21
2025-08-31T09:30:37,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2
2025-08-31T09:30:37,026   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
2025-08-31T09:30:37,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4
2025-08-31T09:30:37,030   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
2025-08-31T09:30:37,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6
2025-08-31T09:30:37,034   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
2025-08-31T09:30:37,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3
2025-08-31T09:30:37,037   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
2025-08-31T09:30:37,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2
2025-08-31T09:30:37,041   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
2025-08-31T09:30:37,044   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e
2025-08-31T09:30:37,045   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
2025-08-31T09:30:37,048   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1
2025-08-31T09:30:37,049   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
2025-08-31T09:30:37,052   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3
2025-08-31T09:30:37,053   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
2025-08-31T09:30:37,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1
2025-08-31T09:30:37,056   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
2025-08-31T09:30:37,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1
2025-08-31T09:30:37,060   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
2025-08-31T09:30:37,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e
2025-08-31T09:30:37,063   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
2025-08-31T09:30:37,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e
2025-08-31T09:30:37,067   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
2025-08-31T09:30:37,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3
2025-08-31T09:30:37,071   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
2025-08-31T09:30:37,073   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr
2025-08-31T09:30:37,074   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
2025-08-31T09:30:37,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1
2025-08-31T09:30:37,078   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
2025-08-31T09:30:37,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e
2025-08-31T09:30:37,082   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
2025-08-31T09:30:37,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2
2025-08-31T09:30:37,086   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
2025-08-31T09:30:37,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p
2025-08-31T09:30:37,090   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
2025-08-31T09:30:37,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1
2025-08-31T09:30:37,093   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
2025-08-31T09:30:37,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e
2025-08-31T09:30:37,097   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
2025-08-31T09:30:37,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1
2025-08-31T09:30:37,101   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
2025-08-31T09:30:37,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2
2025-08-31T09:30:37,104   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
2025-08-31T09:30:37,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1
2025-08-31T09:30:37,108   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
2025-08-31T09:30:37,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e
2025-08-31T09:30:37,112   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
2025-08-31T09:30:37,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1
2025-08-31T09:30:37,116   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
2025-08-31T09:30:37,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e
2025-08-31T09:30:37,120   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
2025-08-31T09:30:37,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me
2025-08-31T09:30:37,124   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
2025-08-31T09:30:37,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3
2025-08-31T09:30:37,128   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
2025-08-31T09:30:37,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2
2025-08-31T09:30:37,132   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
2025-08-31T09:30:37,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p
2025-08-31T09:30:37,136   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
2025-08-31T09:30:37,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5
2025-08-31T09:30:37,140   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
2025-08-31T09:30:37,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e
2025-08-31T09:30:37,144   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
2025-08-31T09:30:37,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene
2025-08-31T09:30:37,148   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
2025-08-31T09:30:37,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e
2025-08-31T09:30:37,152   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
2025-08-31T09:30:37,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1
2025-08-31T09:30:37,156   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
2025-08-31T09:30:37,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e
2025-08-31T09:30:37,160   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
2025-08-31T09:30:37,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int
2025-08-31T09:30:37,163   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
2025-08-31T09:30:37,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2
2025-08-31T09:30:37,167   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
2025-08-31T09:30:37,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3
2025-08-31T09:30:37,171   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
2025-08-31T09:30:37,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2
2025-08-31T09:30:37,175   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
2025-08-31T09:30:37,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3
2025-08-31T09:30:37,178   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
2025-08-31T09:30:37,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43
2025-08-31T09:30:37,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29
2025-08-31T09:30:37,185   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
2025-08-31T09:30:37,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28
2025-08-31T09:30:37,189   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
2025-08-31T09:30:37,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20
2025-08-31T09:30:37,193   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
2025-08-31T09:30:37,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9
2025-08-31T09:30:37,197   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
2025-08-31T09:30:37,199   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33
2025-08-31T09:30:37,200   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
2025-08-31T09:30:37,203   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24
2025-08-31T09:30:37,204   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
2025-08-31T09:30:37,207   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11
2025-08-31T09:30:37,208   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
2025-08-31T09:30:37,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41
2025-08-31T09:30:37,212   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
2025-08-31T09:30:37,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15
2025-08-31T09:30:37,215   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
2025-08-31T09:30:37,218   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16
2025-08-31T09:30:37,219   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
2025-08-31T09:30:37,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38
2025-08-31T09:30:37,223   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
2025-08-31T09:30:37,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36
2025-08-31T09:30:37,227   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
2025-08-31T09:30:37,230   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19
2025-08-31T09:30:37,231   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
2025-08-31T09:30:37,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32
2025-08-31T09:30:37,236   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
2025-08-31T09:30:37,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8
2025-08-31T09:30:37,240   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
2025-08-31T09:30:37,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40
2025-08-31T09:30:37,244   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
2025-08-31T09:30:37,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34
2025-08-31T09:30:37,247   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
2025-08-31T09:30:37,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7
2025-08-31T09:30:37,251   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
2025-08-31T09:30:37,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24
2025-08-31T09:30:37,255   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
2025-08-31T09:30:37,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39
2025-08-31T09:30:37,259   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
2025-08-31T09:30:37,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17
2025-08-31T09:30:37,262   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
2025-08-31T09:30:37,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12
2025-08-31T09:30:37,266   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
2025-08-31T09:30:37,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35
2025-08-31T09:30:37,270   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
2025-08-31T09:30:37,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21
2025-08-31T09:30:37,273   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
2025-08-31T09:30:37,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44
2025-08-31T09:30:37,277   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
2025-08-31T09:30:37,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25
2025-08-31T09:30:37,281   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
2025-08-31T09:30:37,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1
2025-08-31T09:30:37,285   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
2025-08-31T09:30:37,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23
2025-08-31T09:30:37,289   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
2025-08-31T09:30:37,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37
2025-08-31T09:30:37,293   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
2025-08-31T09:30:37,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13
2025-08-31T09:30:37,296   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
2025-08-31T09:30:37,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44
2025-08-31T09:30:37,300   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
2025-08-31T09:30:37,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36
2025-08-31T09:30:37,303   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
2025-08-31T09:30:37,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4
2025-08-31T09:30:37,307   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
2025-08-31T09:30:37,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5
2025-08-31T09:30:37,311   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
2025-08-31T09:30:37,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13
2025-08-31T09:30:37,314   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
2025-08-31T09:30:37,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33
2025-08-31T09:30:37,318   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
2025-08-31T09:30:37,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39
2025-08-31T09:30:37,322   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
2025-08-31T09:30:37,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15
2025-08-31T09:30:37,326   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
2025-08-31T09:30:37,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31
2025-08-31T09:30:37,330   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
2025-08-31T09:30:37,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3
2025-08-31T09:30:37,334   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
2025-08-31T09:30:37,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31
2025-08-31T09:30:37,338   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
2025-08-31T09:30:37,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42
2025-08-31T09:30:37,341   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
2025-08-31T09:30:37,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22
2025-08-31T09:30:37,345   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
2025-08-31T09:30:37,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30
2025-08-31T09:30:37,349   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
2025-08-31T09:30:37,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43
2025-08-31T09:30:37,352   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
2025-08-31T09:30:37,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6
2025-08-31T09:30:37,356   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
2025-08-31T09:30:37,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38
2025-08-31T09:30:37,360   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
2025-08-31T09:30:37,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23
2025-08-31T09:30:37,364   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
2025-08-31T09:30:37,366   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10
2025-08-31T09:30:37,368   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
2025-08-31T09:30:37,370   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6
2025-08-31T09:30:37,372   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
2025-08-31T09:30:37,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4
2025-08-31T09:30:37,376   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
2025-08-31T09:30:37,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8
2025-08-31T09:30:37,380   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
2025-08-31T09:30:37,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16
2025-08-31T09:30:37,383   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
2025-08-31T09:30:37,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28
2025-08-31T09:30:37,387   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
2025-08-31T09:30:37,390   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18
2025-08-31T09:30:37,391   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
2025-08-31T09:30:37,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19
2025-08-31T09:30:37,395   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
2025-08-31T09:30:37,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43
2025-08-31T09:30:37,399   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
2025-08-31T09:30:37,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2
2025-08-31T09:30:37,402   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
2025-08-31T09:30:37,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32
2025-08-31T09:30:37,406   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
2025-08-31T09:30:37,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20
2025-08-31T09:30:37,410   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
2025-08-31T09:30:37,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3
2025-08-31T09:30:37,414   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
2025-08-31T09:30:37,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27
2025-08-31T09:30:37,418   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
2025-08-31T09:30:37,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40
2025-08-31T09:30:37,421   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
2025-08-31T09:30:37,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11
2025-08-31T09:30:37,425   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
2025-08-31T09:30:37,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35
2025-08-31T09:30:37,429   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
2025-08-31T09:30:37,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26
2025-08-31T09:30:37,433   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
2025-08-31T09:30:37,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26
2025-08-31T09:30:37,437   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
2025-08-31T09:30:37,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21
2025-08-31T09:30:37,441   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
2025-08-31T09:30:37,443   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42
2025-08-31T09:30:37,444   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
2025-08-31T09:30:37,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18
2025-08-31T09:30:37,448   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
2025-08-31T09:30:37,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41
2025-08-31T09:30:37,451   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
2025-08-31T09:30:37,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5
2025-08-31T09:30:37,455   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
2025-08-31T09:30:37,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37
2025-08-31T09:30:37,459   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
2025-08-31T09:30:37,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9
2025-08-31T09:30:37,462   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
2025-08-31T09:30:37,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1
2025-08-31T09:30:37,466   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
2025-08-31T09:30:37,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45
2025-08-31T09:30:37,470   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
2025-08-31T09:30:37,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7
2025-08-31T09:30:37,474   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
2025-08-31T09:30:37,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29
2025-08-31T09:30:37,477   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
2025-08-31T09:30:37,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17
2025-08-31T09:30:37,482   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
2025-08-31T09:30:37,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2
2025-08-31T09:30:37,485   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
2025-08-31T09:30:37,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12
2025-08-31T09:30:37,489   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
2025-08-31T09:30:37,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34
2025-08-31T09:30:37,493   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
2025-08-31T09:30:37,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10
2025-08-31T09:30:37,497   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
2025-08-31T09:30:37,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27
2025-08-31T09:30:37,501   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
2025-08-31T09:30:37,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45
2025-08-31T09:30:37,505   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
2025-08-31T09:30:37,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22
2025-08-31T09:30:37,509   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
2025-08-31T09:30:37,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25
2025-08-31T09:30:37,513   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
2025-08-31T09:30:37,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30
2025-08-31T09:30:37,517   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
2025-08-31T09:30:37,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI
2025-08-31T09:30:37,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a
2025-08-31T09:30:37,524   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
2025-08-31T09:30:37,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene
2025-08-31T09:30:37,528   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
2025-08-31T09:30:37,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene
2025-08-31T09:30:37,532   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
2025-08-31T09:30:37,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6
2025-08-31T09:30:37,536   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
2025-08-31T09:30:37,538   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5
2025-08-31T09:30:37,539   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
2025-08-31T09:30:37,542   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2
2025-08-31T09:30:37,543   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
2025-08-31T09:30:37,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene
2025-08-31T09:30:37,547   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
2025-08-31T09:30:37,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane
2025-08-31T09:30:37,551   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
2025-08-31T09:30:37,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a
2025-08-31T09:30:37,555   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
2025-08-31T09:30:37,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a
2025-08-31T09:30:37,559   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
2025-08-31T09:30:37,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4
2025-08-31T09:30:37,563   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
2025-08-31T09:30:37,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6
2025-08-31T09:30:37,567   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
2025-08-31T09:30:37,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts
2025-08-31T09:30:37,571   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
2025-08-31T09:30:37,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene
2025-08-31T09:30:37,575   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
2025-08-31T09:30:37,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a
2025-08-31T09:30:37,579   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
2025-08-31T09:30:37,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5
2025-08-31T09:30:37,583   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
2025-08-31T09:30:37,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts
2025-08-31T09:30:37,586   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
2025-08-31T09:30:37,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene
2025-08-31T09:30:37,590   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
2025-08-31T09:30:37,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a
2025-08-31T09:30:37,594   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
2025-08-31T09:30:37,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9
2025-08-31T09:30:37,598   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
2025-08-31T09:30:37,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts
2025-08-31T09:30:37,601   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
2025-08-31T09:30:37,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts
2025-08-31T09:30:37,605   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
2025-08-31T09:30:37,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8
2025-08-31T09:30:37,609   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
2025-08-31T09:30:37,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4
2025-08-31T09:30:37,613   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
2025-08-31T09:30:37,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts
2025-08-31T09:30:37,617   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
2025-08-31T09:30:37,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r
2025-08-31T09:30:37,621   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
2025-08-31T09:30:37,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene
2025-08-31T09:30:37,625   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
2025-08-31T09:30:37,628   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a
2025-08-31T09:30:37,629   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
2025-08-31T09:30:37,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r
2025-08-31T09:30:37,633   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
2025-08-31T09:30:37,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3
2025-08-31T09:30:37,636   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
2025-08-31T09:30:37,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts
2025-08-31T09:30:37,640   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
2025-08-31T09:30:37,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts
2025-08-31T09:30:37,644   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
2025-08-31T09:30:37,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts
2025-08-31T09:30:37,647   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
2025-08-31T09:30:37,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene
2025-08-31T09:30:37,651   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
2025-08-31T09:30:37,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r
2025-08-31T09:30:37,655   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
2025-08-31T09:30:37,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10
2025-08-31T09:30:37,659   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
2025-08-31T09:30:37,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a
2025-08-31T09:30:37,663   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
2025-08-31T09:30:37,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r
2025-08-31T09:30:37,667   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
2025-08-31T09:30:37,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r
2025-08-31T09:30:37,671   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
2025-08-31T09:30:37,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene
2025-08-31T09:30:37,675   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
2025-08-31T09:30:37,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a
2025-08-31T09:30:37,678   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
2025-08-31T09:30:37,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r
2025-08-31T09:30:37,682   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
2025-08-31T09:30:37,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r
2025-08-31T09:30:37,686   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
2025-08-31T09:30:37,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4
2025-08-31T09:30:37,690   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
2025-08-31T09:30:37,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r
2025-08-31T09:30:37,694   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
2025-08-31T09:30:37,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1
2025-08-31T09:30:37,697   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
2025-08-31T09:30:37,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7
2025-08-31T09:30:37,701   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
2025-08-31T09:30:37,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane
2025-08-31T09:30:37,705   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
2025-08-31T09:30:37,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2
2025-08-31T09:30:37,709   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
2025-08-31T09:30:37,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11
2025-08-31T09:30:37,713   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
2025-08-31T09:30:37,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene
2025-08-31T09:30:37,718   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
2025-08-31T09:30:37,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a
2025-08-31T09:30:37,722   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
2025-08-31T09:30:37,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene
2025-08-31T09:30:37,725   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
2025-08-31T09:30:37,728   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9
2025-08-31T09:30:37,729   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
2025-08-31T09:30:37,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1
2025-08-31T09:30:37,733   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
2025-08-31T09:30:37,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts
2025-08-31T09:30:37,737   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
2025-08-31T09:30:37,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene
2025-08-31T09:30:37,740   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
2025-08-31T09:30:37,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7
2025-08-31T09:30:37,744   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
2025-08-31T09:30:37,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene
2025-08-31T09:30:37,748   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
2025-08-31T09:30:37,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3
2025-08-31T09:30:37,752   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
2025-08-31T09:30:37,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8
2025-08-31T09:30:37,756   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
2025-08-31T09:30:37,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4
2025-08-31T09:30:37,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0
2025-08-31T09:30:37,766   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
2025-08-31T09:30:37,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75
2025-08-31T09:30:37,770   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
2025-08-31T09:30:37,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0
2025-08-31T09:30:37,774   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
2025-08-31T09:30:37,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0
2025-08-31T09:30:37,778   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
2025-08-31T09:30:37,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0
2025-08-31T09:30:37,782   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
2025-08-31T09:30:37,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h
2025-08-31T09:30:37,786   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
2025-08-31T09:30:37,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5
2025-08-31T09:30:37,790   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
2025-08-31T09:30:37,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+
2025-08-31T09:30:37,794   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+
2025-08-31T09:30:37,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75
2025-08-31T09:30:37,798   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
2025-08-31T09:30:37,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5
2025-08-31T09:30:37,802   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
2025-08-31T09:30:37,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25
2025-08-31T09:30:37,806   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
2025-08-31T09:30:37,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o
2025-08-31T09:30:37,810   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
2025-08-31T09:30:37,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75
2025-08-31T09:30:37,814   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
2025-08-31T09:30:37,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5
2025-08-31T09:30:37,818   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
2025-08-31T09:30:37,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25
2025-08-31T09:30:37,821   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
2025-08-31T09:30:37,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5
2025-08-31T09:30:37,825   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
2025-08-31T09:30:37,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75
2025-08-31T09:30:37,830   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
2025-08-31T09:30:37,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+
2025-08-31T09:30:37,833   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+
2025-08-31T09:30:37,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25
2025-08-31T09:30:37,837   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
2025-08-31T09:30:37,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25
2025-08-31T09:30:37,841   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
2025-08-31T09:30:37,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+
2025-08-31T09:30:37,845   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+
2025-08-31T09:30:37,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3
2025-08-31T09:30:37,848   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
2025-08-31T09:30:37,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he
2025-08-31T09:30:37,852   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
2025-08-31T09:30:37,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP
2025-08-31T09:30:37,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f
2025-08-31T09:30:37,858   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
2025-08-31T09:30:37,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2
2025-08-31T09:30:37,862   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
2025-08-31T09:30:37,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l
2025-08-31T09:30:37,865   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
2025-08-31T09:30:37,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer
2025-08-31T09:30:37,869   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
2025-08-31T09:30:37,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant
2025-08-31T09:30:37,873   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
2025-08-31T09:30:37,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene
2025-08-31T09:30:37,877   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
2025-08-31T09:30:37,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1
2025-08-31T09:30:37,881   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
2025-08-31T09:30:37,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22
2025-08-31T09:30:37,884   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
2025-08-31T09:30:37,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l
2025-08-31T09:30:37,888   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
2025-08-31T09:30:37,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1
2025-08-31T09:30:37,892   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
2025-08-31T09:30:37,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2
2025-08-31T09:30:37,896   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
2025-08-31T09:30:37,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f
2025-08-31T09:30:37,900   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
2025-08-31T09:30:37,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2
2025-08-31T09:30:37,904   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
2025-08-31T09:30:37,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL
2025-08-31T09:30:37,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36
2025-08-31T09:30:37,911   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
2025-08-31T09:30:37,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47
2025-08-31T09:30:37,915   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
2025-08-31T09:30:37,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20
2025-08-31T09:30:37,919   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
2025-08-31T09:30:37,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34
2025-08-31T09:30:37,922   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
2025-08-31T09:30:37,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59
2025-08-31T09:30:37,926   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
2025-08-31T09:30:37,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13
2025-08-31T09:30:37,930   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
2025-08-31T09:30:37,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65
2025-08-31T09:30:37,934   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
2025-08-31T09:30:37,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51
2025-08-31T09:30:37,938   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
2025-08-31T09:30:37,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42
2025-08-31T09:30:37,942   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
2025-08-31T09:30:37,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53
2025-08-31T09:30:37,945   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
2025-08-31T09:30:37,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63
2025-08-31T09:30:37,949   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
2025-08-31T09:30:37,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4
2025-08-31T09:30:37,953   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
2025-08-31T09:30:37,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58
2025-08-31T09:30:37,957   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
2025-08-31T09:30:37,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1
2025-08-31T09:30:37,961   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
2025-08-31T09:30:37,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55
2025-08-31T09:30:37,965   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
2025-08-31T09:30:37,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25
2025-08-31T09:30:37,969   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
2025-08-31T09:30:37,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33
2025-08-31T09:30:37,972   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
2025-08-31T09:30:37,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45
2025-08-31T09:30:37,976   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
2025-08-31T09:30:37,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64
2025-08-31T09:30:37,980   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
2025-08-31T09:30:37,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49
2025-08-31T09:30:37,984   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
2025-08-31T09:30:37,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19
2025-08-31T09:30:37,988   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
2025-08-31T09:30:37,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44
2025-08-31T09:30:37,992   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
2025-08-31T09:30:37,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11
2025-08-31T09:30:37,996   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
2025-08-31T09:30:37,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54
2025-08-31T09:30:38,000   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
2025-08-31T09:30:38,003   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31
2025-08-31T09:30:38,004   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
2025-08-31T09:30:38,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10
2025-08-31T09:30:38,008   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
2025-08-31T09:30:38,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62
2025-08-31T09:30:38,011   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
2025-08-31T09:30:38,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3
2025-08-31T09:30:38,015   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
2025-08-31T09:30:38,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27
2025-08-31T09:30:38,019   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
2025-08-31T09:30:38,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50
2025-08-31T09:30:38,023   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
2025-08-31T09:30:38,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6
2025-08-31T09:30:38,026   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
2025-08-31T09:30:38,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32
2025-08-31T09:30:38,031   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
2025-08-31T09:30:38,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9
2025-08-31T09:30:38,036   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
2025-08-31T09:30:38,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61
2025-08-31T09:30:38,040   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
2025-08-31T09:30:38,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48
2025-08-31T09:30:38,044   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
2025-08-31T09:30:38,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38
2025-08-31T09:30:38,048   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
2025-08-31T09:30:38,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28
2025-08-31T09:30:38,052   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
2025-08-31T09:30:38,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56
2025-08-31T09:30:38,056   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
2025-08-31T09:30:38,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52
2025-08-31T09:30:38,060   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
2025-08-31T09:30:38,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39
2025-08-31T09:30:38,064   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
2025-08-31T09:30:38,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41
2025-08-31T09:30:38,067   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
2025-08-31T09:30:38,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24
2025-08-31T09:30:38,071   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
2025-08-31T09:30:38,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43
2025-08-31T09:30:38,075   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
2025-08-31T09:30:38,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40
2025-08-31T09:30:38,079   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
2025-08-31T09:30:38,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29
2025-08-31T09:30:38,082   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
2025-08-31T09:30:38,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35
2025-08-31T09:30:38,086   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
2025-08-31T09:30:38,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14
2025-08-31T09:30:38,090   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
2025-08-31T09:30:38,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46
2025-08-31T09:30:38,094   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
2025-08-31T09:30:38,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23
2025-08-31T09:30:38,098   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
2025-08-31T09:30:38,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60
2025-08-31T09:30:38,103   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
2025-08-31T09:30:38,105   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5
2025-08-31T09:30:38,107   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
2025-08-31T09:30:38,109   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57
2025-08-31T09:30:38,111   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
2025-08-31T09:30:38,113   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16
2025-08-31T09:30:38,114   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
2025-08-31T09:30:38,117   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21
2025-08-31T09:30:38,118   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
2025-08-31T09:30:38,121   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30
2025-08-31T09:30:38,122   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
2025-08-31T09:30:38,125   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2
2025-08-31T09:30:38,126   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
2025-08-31T09:30:38,129   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7
2025-08-31T09:30:38,130   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
2025-08-31T09:30:38,133   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26
2025-08-31T09:30:38,134   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
2025-08-31T09:30:38,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12
2025-08-31T09:30:38,138   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
2025-08-31T09:30:38,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22
2025-08-31T09:30:38,142   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
2025-08-31T09:30:38,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17
2025-08-31T09:30:38,146   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
2025-08-31T09:30:38,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37
2025-08-31T09:30:38,150   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
2025-08-31T09:30:38,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15
2025-08-31T09:30:38,154   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
2025-08-31T09:30:38,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8
2025-08-31T09:30:38,158   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
2025-08-31T09:30:38,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18
2025-08-31T09:30:38,162   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
2025-08-31T09:30:38,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10
2025-08-31T09:30:38,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li
2025-08-31T09:30:38,168   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
2025-08-31T09:30:38,171   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio
2025-08-31T09:30:38,172   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
2025-08-31T09:30:38,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h
2025-08-31T09:30:38,175   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
2025-08-31T09:30:38,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif
2025-08-31T09:30:38,179   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
2025-08-31T09:30:38,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s
2025-08-31T09:30:38,183   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
2025-08-31T09:30:38,186   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na
2025-08-31T09:30:38,187   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
2025-08-31T09:30:38,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo
2025-08-31T09:30:38,191   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
2025-08-31T09:30:38,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg
2025-08-31T09:30:38,194   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
2025-08-31T09:30:38,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k
2025-08-31T09:30:38,198   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
2025-08-31T09:30:38,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o
2025-08-31T09:30:38,202   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
2025-08-31T09:30:38,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf
2025-08-31T09:30:38,206   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
2025-08-31T09:30:38,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be
2025-08-31T09:30:38,209   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
2025-08-31T09:30:38,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao
2025-08-31T09:30:38,213   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
2025-08-31T09:30:38,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs
2025-08-31T09:30:38,217   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
2025-08-31T09:30:38,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f
2025-08-31T09:30:38,221   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
2025-08-31T09:30:38,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf
2025-08-31T09:30:38,225   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
2025-08-31T09:30:38,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo
2025-08-31T09:30:38,228   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
2025-08-31T09:30:38,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao
2025-08-31T09:30:38,232   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
2025-08-31T09:30:38,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca
2025-08-31T09:30:38,236   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
2025-08-31T09:30:38,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef
2025-08-31T09:30:38,240   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
2025-08-31T09:30:38,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF
2025-08-31T09:30:38,245   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg
2025-08-31T09:30:38,246   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
2025-08-31T09:30:38,249   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+
2025-08-31T09:30:38,250   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+
2025-08-31T09:30:38,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-
2025-08-31T09:30:38,254   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-
2025-08-31T09:30:38,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt
2025-08-31T09:30:38,258   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
2025-08-31T09:30:38,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX
2025-08-31T09:30:38,262   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
2025-08-31T09:30:38,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG
2025-08-31T09:30:38,265   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
2025-08-31T09:30:38,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-
2025-08-31T09:30:38,269   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-
2025-08-31T09:30:38,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt
2025-08-31T09:30:38,273   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
2025-08-31T09:30:38,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-
2025-08-31T09:30:38,277   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-
2025-08-31T09:30:38,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt
2025-08-31T09:30:38,282   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
2025-08-31T09:30:38,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-
2025-08-31T09:30:38,286   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-
2025-08-31T09:30:38,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG
2025-08-31T09:30:38,290   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
2025-08-31T09:30:38,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T
2025-08-31T09:30:38,294   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
2025-08-31T09:30:38,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT
2025-08-31T09:30:38,298   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
2025-08-31T09:30:38,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+
2025-08-31T09:30:38,302   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+
2025-08-31T09:30:38,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg
2025-08-31T09:30:38,306   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
2025-08-31T09:30:38,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G
2025-08-31T09:30:38,310   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
2025-08-31T09:30:38,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg
2025-08-31T09:30:38,314   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
2025-08-31T09:30:38,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23
2025-08-31T09:30:38,320   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23
2025-08-31T09:30:38,321   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
2025-08-31T09:30:38,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11
2025-08-31T09:30:38,325   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
2025-08-31T09:30:38,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b
2025-08-31T09:30:38,329   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
2025-08-31T09:30:38,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15
2025-08-31T09:30:38,333   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
2025-08-31T09:30:38,335   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a
2025-08-31T09:30:38,336   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
2025-08-31T09:30:38,339   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a
2025-08-31T09:30:38,340   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
2025-08-31T09:30:38,343   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20
2025-08-31T09:30:38,344   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
2025-08-31T09:30:38,347   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6
2025-08-31T09:30:38,348   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
2025-08-31T09:30:38,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b
2025-08-31T09:30:38,351   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
2025-08-31T09:30:38,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b
2025-08-31T09:30:38,355   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
2025-08-31T09:30:38,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8
2025-08-31T09:30:38,359   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
2025-08-31T09:30:38,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9
2025-08-31T09:30:38,362   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
2025-08-31T09:30:38,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b
2025-08-31T09:30:38,366   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
2025-08-31T09:30:38,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a
2025-08-31T09:30:38,370   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
2025-08-31T09:30:38,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a
2025-08-31T09:30:38,374   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
2025-08-31T09:30:38,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a
2025-08-31T09:30:38,378   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
2025-08-31T09:30:38,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14
2025-08-31T09:30:38,382   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
2025-08-31T09:30:38,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b
2025-08-31T09:30:38,386   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
2025-08-31T09:30:38,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22
2025-08-31T09:30:38,390   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
2025-08-31T09:30:38,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b
2025-08-31T09:30:38,394   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
2025-08-31T09:30:38,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b
2025-08-31T09:30:38,398   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
2025-08-31T09:30:38,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a
2025-08-31T09:30:38,402   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
2025-08-31T09:30:38,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a
2025-08-31T09:30:38,406   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
2025-08-31T09:30:38,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a
2025-08-31T09:30:38,410   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
2025-08-31T09:30:38,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b
2025-08-31T09:30:38,414   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
2025-08-31T09:30:38,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a
2025-08-31T09:30:38,419   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
2025-08-31T09:30:38,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2
2025-08-31T09:30:38,423   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
2025-08-31T09:30:38,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19
2025-08-31T09:30:38,427   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
2025-08-31T09:30:38,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a
2025-08-31T09:30:38,430   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
2025-08-31T09:30:38,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b
2025-08-31T09:30:38,434   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
2025-08-31T09:30:38,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16
2025-08-31T09:30:38,439   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
2025-08-31T09:30:38,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b
2025-08-31T09:30:38,443   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
2025-08-31T09:30:38,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a
2025-08-31T09:30:38,447   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
2025-08-31T09:30:38,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1
2025-08-31T09:30:38,451   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
2025-08-31T09:30:38,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b
2025-08-31T09:30:38,455   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
2025-08-31T09:30:38,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a
2025-08-31T09:30:38,460   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
2025-08-31T09:30:38,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b
2025-08-31T09:30:38,464   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
2025-08-31T09:30:38,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a
2025-08-31T09:30:38,469   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
2025-08-31T09:30:38,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a
2025-08-31T09:30:38,473   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
2025-08-31T09:30:38,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b
2025-08-31T09:30:38,477   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
2025-08-31T09:30:38,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10
2025-08-31T09:30:38,481   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
2025-08-31T09:30:38,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5
2025-08-31T09:30:38,485   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
2025-08-31T09:30:38,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a
2025-08-31T09:30:38,489   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
2025-08-31T09:30:38,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b
2025-08-31T09:30:38,493   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
2025-08-31T09:30:38,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b
2025-08-31T09:30:38,497   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
2025-08-31T09:30:38,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b
2025-08-31T09:30:38,501   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
2025-08-31T09:30:38,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b
2025-08-31T09:30:38,504   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
2025-08-31T09:30:38,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a
2025-08-31T09:30:38,508   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
2025-08-31T09:30:38,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a
2025-08-31T09:30:38,512   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
2025-08-31T09:30:38,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12
2025-08-31T09:30:38,516   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
2025-08-31T09:30:38,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a
2025-08-31T09:30:38,520   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
2025-08-31T09:30:38,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a
2025-08-31T09:30:38,524   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
2025-08-31T09:30:38,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13
2025-08-31T09:30:38,529   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
2025-08-31T09:30:38,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b
2025-08-31T09:30:38,533   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
2025-08-31T09:30:38,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a
2025-08-31T09:30:38,537   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
2025-08-31T09:30:38,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a
2025-08-31T09:30:38,541   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
2025-08-31T09:30:38,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18
2025-08-31T09:30:38,545   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
2025-08-31T09:30:38,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7
2025-08-31T09:30:38,549   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
2025-08-31T09:30:38,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b
2025-08-31T09:30:38,553   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
2025-08-31T09:30:38,557   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a
2025-08-31T09:30:38,558   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
2025-08-31T09:30:38,561   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b
2025-08-31T09:30:38,563   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
2025-08-31T09:30:38,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21
2025-08-31T09:30:38,567   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
2025-08-31T09:30:38,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b
2025-08-31T09:30:38,571   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
2025-08-31T09:30:38,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3
2025-08-31T09:30:38,575   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
2025-08-31T09:30:38,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a
2025-08-31T09:30:38,579   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
2025-08-31T09:30:38,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b
2025-08-31T09:30:38,583   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
2025-08-31T09:30:38,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4
2025-08-31T09:30:38,590   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
2025-08-31T09:30:38,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17
2025-08-31T09:30:38,594   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
2025-08-31T09:30:38,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b
2025-08-31T09:30:38,598   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
2025-08-31T09:30:38,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16
2025-08-31T09:30:38,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A
2025-08-31T09:30:38,604   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
2025-08-31T09:30:38,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228
2025-08-31T09:30:38,608   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
2025-08-31T09:30:38,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213
2025-08-31T09:30:38,612   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
2025-08-31T09:30:38,614   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B
2025-08-31T09:30:38,615   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
2025-08-31T09:30:38,618   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A
2025-08-31T09:30:38,619   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
2025-08-31T09:30:38,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B
2025-08-31T09:30:38,623   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
2025-08-31T09:30:38,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B
2025-08-31T09:30:38,627   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
2025-08-31T09:30:38,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A
2025-08-31T09:30:38,631   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
2025-08-31T09:30:38,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A
2025-08-31T09:30:38,635   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
2025-08-31T09:30:38,638   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212
2025-08-31T09:30:38,639   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
2025-08-31T09:30:38,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B
2025-08-31T09:30:38,643   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
2025-08-31T09:30:38,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202
2025-08-31T09:30:38,647   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
2025-08-31T09:30:38,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152
2025-08-31T09:30:38,652   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
2025-08-31T09:30:38,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B
2025-08-31T09:30:38,656   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
2025-08-31T09:30:38,658   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B
2025-08-31T09:30:38,660   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
2025-08-31T09:30:38,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008
2025-08-31T09:30:38,663   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
2025-08-31T09:30:38,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A
2025-08-31T09:30:38,667   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
2025-08-31T09:30:38,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A
2025-08-31T09:30:38,671   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
2025-08-31T09:30:38,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150
2025-08-31T09:30:38,675   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
2025-08-31T09:30:38,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A
2025-08-31T09:30:38,679   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
2025-08-31T09:30:38,682   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B
2025-08-31T09:30:38,683   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
2025-08-31T09:30:38,686   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A
2025-08-31T09:30:38,687   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
2025-08-31T09:30:38,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B
2025-08-31T09:30:38,691   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
2025-08-31T09:30:38,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B
2025-08-31T09:30:38,695   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
2025-08-31T09:30:38,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A
2025-08-31T09:30:38,699   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
2025-08-31T09:30:38,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B
2025-08-31T09:30:38,703   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
2025-08-31T09:30:38,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230
2025-08-31T09:30:38,706   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
2025-08-31T09:30:38,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A
2025-08-31T09:30:38,710   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
2025-08-31T09:30:38,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B
2025-08-31T09:30:38,714   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
2025-08-31T09:30:38,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229
2025-08-31T09:30:38,718   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
2025-08-31T09:30:38,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B
2025-08-31T09:30:38,722   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
2025-08-31T09:30:38,724   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144
2025-08-31T09:30:38,726   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
2025-08-31T09:30:38,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147
2025-08-31T09:30:38,732   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
2025-08-31T09:30:38,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B
2025-08-31T09:30:38,741   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
2025-08-31T09:30:38,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A
2025-08-31T09:30:38,745   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
2025-08-31T09:30:38,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227
2025-08-31T09:30:38,750   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
2025-08-31T09:30:38,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148
2025-08-31T09:30:38,756   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
2025-08-31T09:30:38,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B
2025-08-31T09:30:38,760   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
2025-08-31T09:30:38,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A
2025-08-31T09:30:38,764   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
2025-08-31T09:30:38,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187
2025-08-31T09:30:38,769   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
2025-08-31T09:30:38,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A
2025-08-31T09:30:38,773   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
2025-08-31T09:30:38,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A
2025-08-31T09:30:38,777   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
2025-08-31T09:30:38,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214
2025-08-31T09:30:38,781   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
2025-08-31T09:30:38,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B
2025-08-31T09:30:38,785   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
2025-08-31T09:30:38,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A
2025-08-31T09:30:38,789   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
2025-08-31T09:30:38,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231
2025-08-31T09:30:38,793   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
2025-08-31T09:30:38,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B
2025-08-31T09:30:38,796   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
2025-08-31T09:30:38,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A
2025-08-31T09:30:38,800   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
2025-08-31T09:30:38,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21
2025-08-31T09:30:38,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A
2025-08-31T09:30:38,807   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
2025-08-31T09:30:38,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B
2025-08-31T09:30:38,814   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
2025-08-31T09:30:38,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A
2025-08-31T09:30:38,818   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
2025-08-31T09:30:38,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11
2025-08-31T09:30:38,822   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
2025-08-31T09:30:38,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B
2025-08-31T09:30:38,826   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
2025-08-31T09:30:38,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A
2025-08-31T09:30:38,830   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
2025-08-31T09:30:38,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A
2025-08-31T09:30:38,834   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
2025-08-31T09:30:38,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A
2025-08-31T09:30:38,840   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
2025-08-31T09:30:38,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B
2025-08-31T09:30:38,844   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
2025-08-31T09:30:38,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15
2025-08-31T09:30:38,848   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
2025-08-31T09:30:38,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A
2025-08-31T09:30:38,852   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
2025-08-31T09:30:38,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A
2025-08-31T09:30:38,856   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
2025-08-31T09:30:38,858   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20
2025-08-31T09:30:38,859   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
2025-08-31T09:30:38,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6
2025-08-31T09:30:38,863   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
2025-08-31T09:30:38,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A
2025-08-31T09:30:38,867   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
2025-08-31T09:30:38,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8
2025-08-31T09:30:38,871   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
2025-08-31T09:30:38,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9
2025-08-31T09:30:38,874   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
2025-08-31T09:30:38,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B
2025-08-31T09:30:38,878   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
2025-08-31T09:30:38,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B
2025-08-31T09:30:38,882   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
2025-08-31T09:30:38,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B
2025-08-31T09:30:38,886   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
2025-08-31T09:30:38,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A
2025-08-31T09:30:38,890   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
2025-08-31T09:30:38,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14
2025-08-31T09:30:38,894   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
2025-08-31T09:30:38,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B
2025-08-31T09:30:38,898   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
2025-08-31T09:30:38,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A
2025-08-31T09:30:38,902   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
2025-08-31T09:30:38,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B
2025-08-31T09:30:38,906   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
2025-08-31T09:30:38,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A
2025-08-31T09:30:38,910   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
2025-08-31T09:30:38,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B
2025-08-31T09:30:38,913   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
2025-08-31T09:30:38,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A
2025-08-31T09:30:38,917   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
2025-08-31T09:30:38,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A
2025-08-31T09:30:38,921   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
2025-08-31T09:30:38,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B
2025-08-31T09:30:38,925   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
2025-08-31T09:30:38,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B
2025-08-31T09:30:38,929   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
2025-08-31T09:30:38,932   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B
2025-08-31T09:30:38,933   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
2025-08-31T09:30:38,936   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2
2025-08-31T09:30:38,937   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
2025-08-31T09:30:38,940   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19
2025-08-31T09:30:38,941   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
2025-08-31T09:30:38,944   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B
2025-08-31T09:30:38,945   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
2025-08-31T09:30:38,948   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B
2025-08-31T09:30:38,949   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
2025-08-31T09:30:38,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16
2025-08-31T09:30:38,953   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
2025-08-31T09:30:38,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1
2025-08-31T09:30:38,956   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
2025-08-31T09:30:38,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B
2025-08-31T09:30:38,960   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
2025-08-31T09:30:38,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B
2025-08-31T09:30:38,964   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
2025-08-31T09:30:38,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B
2025-08-31T09:30:38,968   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
2025-08-31T09:30:38,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A
2025-08-31T09:30:38,972   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
2025-08-31T09:30:38,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B
2025-08-31T09:30:38,976   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
2025-08-31T09:30:38,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A
2025-08-31T09:30:38,980   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
2025-08-31T09:30:38,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10
2025-08-31T09:30:38,984   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
2025-08-31T09:30:38,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5
2025-08-31T09:30:38,987   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
2025-08-31T09:30:38,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A
2025-08-31T09:30:38,991   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
2025-08-31T09:30:38,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A
2025-08-31T09:30:38,995   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
2025-08-31T09:30:38,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A
2025-08-31T09:30:38,999   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
2025-08-31T09:30:39,001   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12
2025-08-31T09:30:39,003   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
2025-08-31T09:30:39,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13
2025-08-31T09:30:39,007   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
2025-08-31T09:30:39,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18
2025-08-31T09:30:39,010   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
2025-08-31T09:30:39,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7
2025-08-31T09:30:39,014   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
2025-08-31T09:30:39,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B
2025-08-31T09:30:39,018   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
2025-08-31T09:30:39,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B
2025-08-31T09:30:39,022   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
2025-08-31T09:30:39,024   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A
2025-08-31T09:30:39,025   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
2025-08-31T09:30:39,028   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21
2025-08-31T09:30:39,029   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
2025-08-31T09:30:39,032   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B
2025-08-31T09:30:39,033   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
2025-08-31T09:30:39,036   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3
2025-08-31T09:30:39,037   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
2025-08-31T09:30:39,040   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A
2025-08-31T09:30:39,041   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
2025-08-31T09:30:39,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A
2025-08-31T09:30:39,044   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
2025-08-31T09:30:39,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4
2025-08-31T09:30:39,048   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
2025-08-31T09:30:39,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17
2025-08-31T09:30:39,052   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
2025-08-31T09:30:39,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC
2025-08-31T09:30:39,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3
2025-08-31T09:30:39,058   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
2025-08-31T09:30:39,061   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3
2025-08-31T09:30:39,062   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
2025-08-31T09:30:39,065   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F
2025-08-31T09:30:39,066   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
2025-08-31T09:30:39,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut
2025-08-31T09:30:39,070   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
2025-08-31T09:30:39,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl
2025-08-31T09:30:39,073   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
2025-08-31T09:30:39,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2
2025-08-31T09:30:39,077   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
2025-08-31T09:30:39,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H
2025-08-31T09:30:39,081   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
2025-08-31T09:30:39,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz
2025-08-31T09:30:39,085   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
2025-08-31T09:30:39,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3
2025-08-31T09:30:39,089   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
2025-08-31T09:30:39,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3
2025-08-31T09:30:39,092   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
2025-08-31T09:30:39,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3
2025-08-31T09:30:39,096   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
2025-08-31T09:30:39,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3
2025-08-31T09:30:39,100   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
2025-08-31T09:30:39,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2
2025-08-31T09:30:39,104   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
2025-08-31T09:30:39,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3
2025-08-31T09:30:39,108   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
2025-08-31T09:30:39,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch
2025-08-31T09:30:39,112   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
2025-08-31T09:30:39,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2
2025-08-31T09:30:39,116   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
2025-08-31T09:30:39,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3
2025-08-31T09:30:39,120   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
2025-08-31T09:30:39,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3
2025-08-31T09:30:39,124   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
2025-08-31T09:30:39,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3
2025-08-31T09:30:39,128   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
2025-08-31T09:30:39,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh
2025-08-31T09:30:39,132   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
2025-08-31T09:30:39,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3
2025-08-31T09:30:39,136   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
2025-08-31T09:30:39,138   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8
2025-08-31T09:30:39,140   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2
2025-08-31T09:30:39,141   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
2025-08-31T09:30:39,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8
2025-08-31T09:30:39,145   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
2025-08-31T09:30:39,148   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c
2025-08-31T09:30:39,149   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
2025-08-31T09:30:39,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4
2025-08-31T09:30:39,152   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
2025-08-31T09:30:39,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+
2025-08-31T09:30:39,156   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+
2025-08-31T09:30:39,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2
2025-08-31T09:30:39,160   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
2025-08-31T09:30:39,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2
2025-08-31T09:30:39,163   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
2025-08-31T09:30:39,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n
2025-08-31T09:30:39,167   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
2025-08-31T09:30:39,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4
2025-08-31T09:30:39,171   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
2025-08-31T09:30:39,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8
2025-08-31T09:30:39,175   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
2025-08-31T09:30:39,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+
2025-08-31T09:30:39,178   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+
2025-08-31T09:30:39,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch
2025-08-31T09:30:39,182   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
2025-08-31T09:30:39,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2
2025-08-31T09:30:39,185   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
2025-08-31T09:30:39,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me
2025-08-31T09:30:39,189   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
2025-08-31T09:30:39,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me
2025-08-31T09:30:39,193   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
2025-08-31T09:30:39,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2
2025-08-31T09:30:39,197   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
2025-08-31T09:30:39,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h
2025-08-31T09:30:39,201   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
2025-08-31T09:30:39,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6
2025-08-31T09:30:39,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3
2025-08-31T09:30:39,207   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
2025-08-31T09:30:39,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6
2025-08-31T09:30:39,210   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
2025-08-31T09:30:39,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6
2025-08-31T09:30:39,214   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
2025-08-31T09:30:39,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2
2025-08-31T09:30:39,217   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
2025-08-31T09:30:39,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6
2025-08-31T09:30:39,221   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
2025-08-31T09:30:39,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3
2025-08-31T09:30:39,225   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
2025-08-31T09:30:39,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4
2025-08-31T09:30:39,229   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
2025-08-31T09:30:39,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3
2025-08-31T09:30:39,233   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
2025-08-31T09:30:39,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6
2025-08-31T09:30:39,237   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
2025-08-31T09:30:39,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5
2025-08-31T09:30:39,241   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
2025-08-31T09:30:39,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3
2025-08-31T09:30:39,245   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
2025-08-31T09:30:39,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18
2025-08-31T09:30:39,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2
2025-08-31T09:30:39,251   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
2025-08-31T09:30:39,253   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2
2025-08-31T09:30:39,255   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
2025-08-31T09:30:39,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22
2025-08-31T09:30:39,258   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
2025-08-31T09:30:39,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2
2025-08-31T09:30:39,262   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
2025-08-31T09:30:39,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s
2025-08-31T09:30:39,266   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
2025-08-31T09:30:39,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22
2025-08-31T09:30:39,270   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
2025-08-31T09:30:39,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2
2025-08-31T09:30:39,274   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
2025-08-31T09:30:39,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2
2025-08-31T09:30:39,277   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
2025-08-31T09:30:39,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22
2025-08-31T09:30:39,281   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
2025-08-31T09:30:39,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22
2025-08-31T09:30:39,285   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
2025-08-31T09:30:39,288   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3
2025-08-31T09:30:39,289   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
2025-08-31T09:30:39,292   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3
2025-08-31T09:30:39,293   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
2025-08-31T09:30:39,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22
2025-08-31T09:30:39,297   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
2025-08-31T09:30:39,299   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22
2025-08-31T09:30:39,300   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
2025-08-31T09:30:39,303   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2
2025-08-31T09:30:39,304   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
2025-08-31T09:30:39,307   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3
2025-08-31T09:30:39,308   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
2025-08-31T09:30:39,311   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2
2025-08-31T09:30:39,312   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
2025-08-31T09:30:39,315   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22
2025-08-31T09:30:39,316   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
2025-08-31T09:30:39,318   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2
2025-08-31T09:30:39,320   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
2025-08-31T09:30:39,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s
2025-08-31T09:30:39,324   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
2025-08-31T09:30:39,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3
2025-08-31T09:30:39,327   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
2025-08-31T09:30:39,330   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2
2025-08-31T09:30:39,331   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
2025-08-31T09:30:39,334   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2
2025-08-31T09:30:39,335   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
2025-08-31T09:30:39,338   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22
2025-08-31T09:30:39,340   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
2025-08-31T09:30:39,342   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3
2025-08-31T09:30:39,344   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
2025-08-31T09:30:39,346   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22
2025-08-31T09:30:39,347   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
2025-08-31T09:30:39,350   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22
2025-08-31T09:30:39,351   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
2025-08-31T09:30:39,354   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s
2025-08-31T09:30:39,355   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
2025-08-31T09:30:39,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3
2025-08-31T09:30:39,359   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
2025-08-31T09:30:39,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76
2025-08-31T09:30:39,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH
2025-08-31T09:30:39,366   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
2025-08-31T09:30:39,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl
2025-08-31T09:30:39,370   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
2025-08-31T09:30:39,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02
2025-08-31T09:30:39,374   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
2025-08-31T09:30:39,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp
2025-08-31T09:30:39,378   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
2025-08-31T09:30:39,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o
2025-08-31T09:30:39,381   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
2025-08-31T09:30:39,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2
2025-08-31T09:30:39,385   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
2025-08-31T09:30:39,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05
2025-08-31T09:30:39,390   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
2025-08-31T09:30:39,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08
2025-08-31T09:30:39,393   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
2025-08-31T09:30:39,396   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18
2025-08-31T09:30:39,397   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
2025-08-31T09:30:39,400   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h
2025-08-31T09:30:39,401   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
2025-08-31T09:30:39,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts
2025-08-31T09:30:39,405   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
2025-08-31T09:30:39,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06
2025-08-31T09:30:39,408   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
2025-08-31T09:30:39,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2
2025-08-31T09:30:39,412   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
2025-08-31T09:30:39,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts
2025-08-31T09:30:39,416   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
2025-08-31T09:30:39,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5
2025-08-31T09:30:39,420   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
2025-08-31T09:30:39,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15
2025-08-31T09:30:39,424   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
2025-08-31T09:30:39,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts
2025-08-31T09:30:39,428   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
2025-08-31T09:30:39,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts
2025-08-31T09:30:39,432   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
2025-08-31T09:30:39,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc
2025-08-31T09:30:39,436   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
2025-08-31T09:30:39,439   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf
2025-08-31T09:30:39,440   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
2025-08-31T09:30:39,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts
2025-08-31T09:30:39,444   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
2025-08-31T09:30:39,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco
2025-08-31T09:30:39,447   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
2025-08-31T09:30:39,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4
2025-08-31T09:30:39,451   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
2025-08-31T09:30:39,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14
2025-08-31T09:30:39,454   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
2025-08-31T09:30:39,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh
2025-08-31T09:30:39,458   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
2025-08-31T09:30:39,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13
2025-08-31T09:30:39,462   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
2025-08-31T09:30:39,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2
2025-08-31T09:30:39,466   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
2025-08-31T09:30:39,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09
2025-08-31T09:30:39,470   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
2025-08-31T09:30:39,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf
2025-08-31T09:30:39,474   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
2025-08-31T09:30:39,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2
2025-08-31T09:30:39,477   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
2025-08-31T09:30:39,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2
2025-08-31T09:30:39,481   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
2025-08-31T09:30:39,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07
2025-08-31T09:30:39,485   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
2025-08-31T09:30:39,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8
2025-08-31T09:30:39,489   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
2025-08-31T09:30:39,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts
2025-08-31T09:30:39,492   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
2025-08-31T09:30:39,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10
2025-08-31T09:30:39,496   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
2025-08-31T09:30:39,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts
2025-08-31T09:30:39,500   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
2025-08-31T09:30:39,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts
2025-08-31T09:30:39,504   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
2025-08-31T09:30:39,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1
2025-08-31T09:30:39,507   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
2025-08-31T09:30:39,510   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts
2025-08-31T09:30:39,511   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
2025-08-31T09:30:39,514   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2
2025-08-31T09:30:39,515   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
2025-08-31T09:30:39,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl
2025-08-31T09:30:39,519   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
2025-08-31T09:30:39,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f
2025-08-31T09:30:39,523   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
2025-08-31T09:30:39,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19
2025-08-31T09:30:39,526   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
2025-08-31T09:30:39,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts
2025-08-31T09:30:39,530   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
2025-08-31T09:30:39,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03
2025-08-31T09:30:39,534   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
2025-08-31T09:30:39,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts
2025-08-31T09:30:39,537   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
2025-08-31T09:30:39,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3
2025-08-31T09:30:39,541   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
2025-08-31T09:30:39,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16
2025-08-31T09:30:39,545   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
2025-08-31T09:30:39,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3
2025-08-31T09:30:39,549   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
2025-08-31T09:30:39,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12
2025-08-31T09:30:39,553   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
2025-08-31T09:30:39,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6
2025-08-31T09:30:39,556   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
2025-08-31T09:30:39,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1
2025-08-31T09:30:39,560   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
2025-08-31T09:30:39,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S
2025-08-31T09:30:39,564   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
2025-08-31T09:30:39,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01
2025-08-31T09:30:39,568   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
2025-08-31T09:30:39,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O
2025-08-31T09:30:39,572   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
2025-08-31T09:30:39,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04
2025-08-31T09:30:39,576   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
2025-08-31T09:30:39,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20
2025-08-31T09:30:39,580   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
2025-08-31T09:30:39,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts
2025-08-31T09:30:39,584   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
2025-08-31T09:30:39,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7
2025-08-31T09:30:39,587   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
2025-08-31T09:30:39,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H
2025-08-31T09:30:39,591   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
2025-08-31T09:30:39,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-
2025-08-31T09:30:39,595   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-
2025-08-31T09:30:39,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS
2025-08-31T09:30:39,599   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
2025-08-31T09:30:39,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3
2025-08-31T09:30:39,602   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
2025-08-31T09:30:39,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-
2025-08-31T09:30:39,606   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-
2025-08-31T09:30:39,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4
2025-08-31T09:30:39,610   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
2025-08-31T09:30:39,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2
2025-08-31T09:30:39,614   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
2025-08-31T09:30:39,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22
2025-08-31T09:30:39,618   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
2025-08-31T09:30:39,621   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5
2025-08-31T09:30:39,622   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
2025-08-31T09:30:39,625   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh
2025-08-31T09:30:39,626   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
2025-08-31T09:30:39,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2
2025-08-31T09:30:39,630   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
2025-08-31T09:30:39,632   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH
2025-08-31T09:30:39,634   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
2025-08-31T09:30:39,636   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp
2025-08-31T09:30:39,637   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
2025-08-31T09:30:39,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co
2025-08-31T09:30:39,641   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
2025-08-31T09:30:39,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts
2025-08-31T09:30:39,645   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
2025-08-31T09:30:39,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts
2025-08-31T09:30:39,648   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
2025-08-31T09:30:39,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f
2025-08-31T09:30:39,652   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
2025-08-31T09:30:39,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O
2025-08-31T09:30:39,656   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
2025-08-31T09:30:39,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2
2025-08-31T09:30:39,660   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
2025-08-31T09:30:39,662   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl
2025-08-31T09:30:39,663   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
2025-08-31T09:30:39,666   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts
2025-08-31T09:30:39,667   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
2025-08-31T09:30:39,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots
2025-08-31T09:30:39,671   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
2025-08-31T09:30:39,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn
2025-08-31T09:30:39,675   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
2025-08-31T09:30:39,677   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11
2025-08-31T09:30:39,678   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
2025-08-31T09:30:39,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21
2025-08-31T09:30:39,682   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
2025-08-31T09:30:39,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17
2025-08-31T09:30:39,686   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
2025-08-31T09:30:39,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-
2025-08-31T09:30:39,689   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-
2025-08-31T09:30:39,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24
2025-08-31T09:30:39,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e
2025-08-31T09:30:39,696   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
2025-08-31T09:30:39,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p
2025-08-31T09:30:39,699   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
2025-08-31T09:30:39,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e
2025-08-31T09:30:39,703   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
2025-08-31T09:30:39,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e
2025-08-31T09:30:39,707   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
2025-08-31T09:30:39,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p
2025-08-31T09:30:39,711   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
2025-08-31T09:30:39,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p
2025-08-31T09:30:39,715   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
2025-08-31T09:30:39,718   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p
2025-08-31T09:30:39,719   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
2025-08-31T09:30:39,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e
2025-08-31T09:30:39,723   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
2025-08-31T09:30:39,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e
2025-08-31T09:30:39,727   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
2025-08-31T09:30:39,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p
2025-08-31T09:30:39,731   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
2025-08-31T09:30:39,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e
2025-08-31T09:30:39,735   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
2025-08-31T09:30:39,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p
2025-08-31T09:30:39,739   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
2025-08-31T09:30:39,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p
2025-08-31T09:30:39,742   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
2025-08-31T09:30:39,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e
2025-08-31T09:30:39,747   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
2025-08-31T09:30:39,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e
2025-08-31T09:30:39,751   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
2025-08-31T09:30:39,754   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p
2025-08-31T09:30:39,755   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
2025-08-31T09:30:39,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p
2025-08-31T09:30:39,759   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
2025-08-31T09:30:39,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p
2025-08-31T09:30:39,762   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
2025-08-31T09:30:39,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e
2025-08-31T09:30:39,766   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
2025-08-31T09:30:39,769   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e
2025-08-31T09:30:39,771   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
2025-08-31T09:30:39,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e
2025-08-31T09:30:39,775   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
2025-08-31T09:30:39,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e
2025-08-31T09:30:39,778   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
2025-08-31T09:30:39,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p
2025-08-31T09:30:39,782   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
2025-08-31T09:30:39,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e
2025-08-31T09:30:39,786   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
2025-08-31T09:30:39,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e
2025-08-31T09:30:39,790   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
2025-08-31T09:30:39,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p
2025-08-31T09:30:39,794   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
2025-08-31T09:30:39,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p
2025-08-31T09:30:39,798   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
2025-08-31T09:30:39,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e
2025-08-31T09:30:39,802   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
2025-08-31T09:30:39,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p
2025-08-31T09:30:39,806   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
2025-08-31T09:30:39,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p
2025-08-31T09:30:39,810   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
2025-08-31T09:30:39,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e
2025-08-31T09:30:39,814   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
2025-08-31T09:30:39,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p
2025-08-31T09:30:39,818   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
2025-08-31T09:30:39,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p
2025-08-31T09:30:39,822   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
2025-08-31T09:30:39,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e
2025-08-31T09:30:39,826   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
2025-08-31T09:30:39,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p
2025-08-31T09:30:39,830   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
2025-08-31T09:30:39,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p
2025-08-31T09:30:39,834   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
2025-08-31T09:30:39,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e
2025-08-31T09:30:39,838   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
2025-08-31T09:30:39,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e
2025-08-31T09:30:39,842   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
2025-08-31T09:30:39,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p
2025-08-31T09:30:39,846   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
2025-08-31T09:30:39,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e
2025-08-31T09:30:39,850   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
2025-08-31T09:30:39,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e
2025-08-31T09:30:39,853   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
2025-08-31T09:30:39,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p
2025-08-31T09:30:39,857   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
2025-08-31T09:30:39,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e
2025-08-31T09:30:39,861   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
2025-08-31T09:30:39,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p
2025-08-31T09:30:39,865   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
2025-08-31T09:30:39,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p
2025-08-31T09:30:39,869   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
2025-08-31T09:30:39,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e
2025-08-31T09:30:39,873   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
2025-08-31T09:30:39,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e
2025-08-31T09:30:39,877   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
2025-08-31T09:30:39,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p
2025-08-31T09:30:39,881   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
2025-08-31T09:30:39,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10
2025-08-31T09:30:39,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8
2025-08-31T09:30:39,887   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
2025-08-31T09:30:39,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4
2025-08-31T09:30:39,891   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
2025-08-31T09:30:39,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6
2025-08-31T09:30:39,895   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
2025-08-31T09:30:39,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9
2025-08-31T09:30:39,899   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
2025-08-31T09:30:39,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10
2025-08-31T09:30:39,903   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
2025-08-31T09:30:39,905   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2
2025-08-31T09:30:39,907   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
2025-08-31T09:30:39,909   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1
2025-08-31T09:30:39,910   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
2025-08-31T09:30:39,913   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7
2025-08-31T09:30:39,914   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
2025-08-31T09:30:39,917   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5
2025-08-31T09:30:39,974   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
2025-08-31T09:30:39,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2
2025-08-31T09:30:39,978   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
2025-08-31T09:30:39,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4
2025-08-31T09:30:39,981   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
2025-08-31T09:30:39,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10
2025-08-31T09:30:39,985   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
2025-08-31T09:30:39,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6
2025-08-31T09:30:39,988   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
2025-08-31T09:30:39,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7
2025-08-31T09:30:39,991   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
2025-08-31T09:30:39,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1
2025-08-31T09:30:39,995   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
2025-08-31T09:30:39,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8
2025-08-31T09:30:39,999   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
2025-08-31T09:30:40,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9
2025-08-31T09:30:40,003   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
2025-08-31T09:30:40,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5
2025-08-31T09:30:40,006   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
2025-08-31T09:30:40,009   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3
2025-08-31T09:30:40,010   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
2025-08-31T09:30:40,013   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3
2025-08-31T09:30:40,014   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
2025-08-31T09:30:40,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05
2025-08-31T09:30:40,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A
2025-08-31T09:30:40,023   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
2025-08-31T09:30:40,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+
2025-08-31T09:30:40,027   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+
2025-08-31T09:30:40,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne
2025-08-31T09:30:40,032   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
2025-08-31T09:30:40,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20
2025-08-31T09:30:40,036   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
2025-08-31T09:30:40,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+
2025-08-31T09:30:40,040   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+
2025-08-31T09:30:40,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2
2025-08-31T09:30:40,043   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
2025-08-31T09:30:40,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+
2025-08-31T09:30:40,047   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+
2025-08-31T09:30:40,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12
2025-08-31T09:30:40,051   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
2025-08-31T09:30:40,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43
2025-08-31T09:30:40,055   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
2025-08-31T09:30:40,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48
2025-08-31T09:30:40,059   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
2025-08-31T09:30:40,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo
2025-08-31T09:30:40,063   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
2025-08-31T09:30:40,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp
2025-08-31T09:30:40,067   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
2025-08-31T09:30:40,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n
2025-08-31T09:30:40,072   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
2025-08-31T09:30:40,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm
2025-08-31T09:30:40,075   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
2025-08-31T09:30:40,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02
2025-08-31T09:30:40,079   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
2025-08-31T09:30:40,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH
2025-08-31T09:30:40,083   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
2025-08-31T09:30:40,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14
2025-08-31T09:30:40,087   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
2025-08-31T09:30:40,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS
2025-08-31T09:30:40,091   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
2025-08-31T09:30:40,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2
2025-08-31T09:30:40,095   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
2025-08-31T09:30:40,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe
2025-08-31T09:30:40,099   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
2025-08-31T09:30:40,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74
2025-08-31T09:30:40,103   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
2025-08-31T09:30:40,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s
2025-08-31T09:30:40,107   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
2025-08-31T09:30:40,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2
2025-08-31T09:30:40,111   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
2025-08-31T09:30:40,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2
2025-08-31T09:30:40,115   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
2025-08-31T09:30:40,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20
2025-08-31T09:30:40,119   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
2025-08-31T09:30:40,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis
2025-08-31T09:30:40,123   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
2025-08-31T09:30:40,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+
2025-08-31T09:30:40,127   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+
2025-08-31T09:30:40,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68
2025-08-31T09:30:40,132   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
2025-08-31T09:30:40,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a
2025-08-31T09:30:40,136   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
2025-08-31T09:30:40,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67
2025-08-31T09:30:40,140   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
2025-08-31T09:30:40,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A
2025-08-31T09:30:40,144   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
2025-08-31T09:30:40,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h
2025-08-31T09:30:40,148   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
2025-08-31T09:30:40,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20
2025-08-31T09:30:40,153   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
2025-08-31T09:30:40,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6
2025-08-31T09:30:40,157   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
2025-08-31T09:30:40,160   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71
2025-08-31T09:30:40,161   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
2025-08-31T09:30:40,164   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+
2025-08-31T09:30:40,165   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+
2025-08-31T09:30:40,168   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2
2025-08-31T09:30:40,169   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
2025-08-31T09:30:40,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1
2025-08-31T09:30:40,173   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
2025-08-31T09:30:40,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s
2025-08-31T09:30:40,177   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
2025-08-31T09:30:40,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8
2025-08-31T09:30:40,181   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
2025-08-31T09:30:40,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47
2025-08-31T09:30:40,186   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
2025-08-31T09:30:40,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si
2025-08-31T09:30:40,189   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
2025-08-31T09:30:40,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl
2025-08-31T09:30:40,193   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
2025-08-31T09:30:40,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc
2025-08-31T09:30:40,198   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
2025-08-31T09:30:40,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf
2025-08-31T09:30:40,202   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
2025-08-31T09:30:40,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21
2025-08-31T09:30:40,206   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
2025-08-31T09:30:40,210   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo
2025-08-31T09:30:40,211   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
2025-08-31T09:30:40,214   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco
2025-08-31T09:30:40,216   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
2025-08-31T09:30:40,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B
2025-08-31T09:30:40,220   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
2025-08-31T09:30:40,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39
2025-08-31T09:30:40,225   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
2025-08-31T09:30:40,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4
2025-08-31T09:30:40,229   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
2025-08-31T09:30:40,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg
2025-08-31T09:30:40,233   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
2025-08-31T09:30:40,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh
2025-08-31T09:30:40,237   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
2025-08-31T09:30:40,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A
2025-08-31T09:30:40,241   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
2025-08-31T09:30:40,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar
2025-08-31T09:30:40,244   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
2025-08-31T09:30:40,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k
2025-08-31T09:30:40,249   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
2025-08-31T09:30:40,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34
2025-08-31T09:30:40,252   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
2025-08-31T09:30:40,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o
2025-08-31T09:30:40,256   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
2025-08-31T09:30:40,259   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans
2025-08-31T09:30:40,260   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
2025-08-31T09:30:40,263   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59
2025-08-31T09:30:40,264   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
2025-08-31T09:30:40,267   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf
2025-08-31T09:30:40,268   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
2025-08-31T09:30:40,271   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4
2025-08-31T09:30:40,272   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
2025-08-31T09:30:40,275   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b
2025-08-31T09:30:40,276   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
2025-08-31T09:30:40,279   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3
2025-08-31T09:30:40,280   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
2025-08-31T09:30:40,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78
2025-08-31T09:30:40,284   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
2025-08-31T09:30:40,286   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3
2025-08-31T09:30:40,288   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
2025-08-31T09:30:40,290   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp
2025-08-31T09:30:40,291   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
2025-08-31T09:30:40,294   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4
2025-08-31T09:30:40,295   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
2025-08-31T09:30:40,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl
2025-08-31T09:30:40,299   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
2025-08-31T09:30:40,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p
2025-08-31T09:30:40,303   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
2025-08-31T09:30:40,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be
2025-08-31T09:30:40,307   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
2025-08-31T09:30:40,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts
2025-08-31T09:30:40,310   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
2025-08-31T09:30:40,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10
2025-08-31T09:30:40,314   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
2025-08-31T09:30:40,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B
2025-08-31T09:30:40,318   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
2025-08-31T09:30:40,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao
2025-08-31T09:30:40,322   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
2025-08-31T09:30:40,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A
2025-08-31T09:30:40,326   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
2025-08-31T09:30:40,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4
2025-08-31T09:30:40,330   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
2025-08-31T09:30:40,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-
2025-08-31T09:30:40,334   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-
2025-08-31T09:30:40,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B
2025-08-31T09:30:40,337   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
2025-08-31T09:30:40,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic
2025-08-31T09:30:40,341   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
2025-08-31T09:30:40,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5
2025-08-31T09:30:40,345   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
2025-08-31T09:30:40,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p
2025-08-31T09:30:40,349   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
2025-08-31T09:30:40,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2
2025-08-31T09:30:40,353   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
2025-08-31T09:30:40,355   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c
2025-08-31T09:30:40,356   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
2025-08-31T09:30:40,359   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl
2025-08-31T09:30:40,360   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
2025-08-31T09:30:40,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24
2025-08-31T09:30:40,364   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
2025-08-31T09:30:40,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B
2025-08-31T09:30:40,368   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
2025-08-31T09:30:40,371   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS
2025-08-31T09:30:40,372   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
2025-08-31T09:30:40,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b
2025-08-31T09:30:40,375   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
2025-08-31T09:30:40,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25
2025-08-31T09:30:40,379   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
2025-08-31T09:30:40,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76
2025-08-31T09:30:40,383   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
2025-08-31T09:30:40,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr
2025-08-31T09:30:40,387   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
2025-08-31T09:30:40,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1
2025-08-31T09:30:40,391   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
2025-08-31T09:30:40,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs
2025-08-31T09:30:40,394   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
2025-08-31T09:30:40,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr
2025-08-31T09:30:40,398   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
2025-08-31T09:30:40,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2
2025-08-31T09:30:40,402   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
2025-08-31T09:30:40,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl
2025-08-31T09:30:40,406   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
2025-08-31T09:30:40,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3
2025-08-31T09:30:40,410   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
2025-08-31T09:30:40,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f
2025-08-31T09:30:40,414   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
2025-08-31T09:30:40,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf
2025-08-31T09:30:40,418   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
2025-08-31T09:30:40,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B
2025-08-31T09:30:40,422   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
2025-08-31T09:30:40,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3
2025-08-31T09:30:40,425   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
2025-08-31T09:30:40,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64
2025-08-31T09:30:40,429   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
2025-08-31T09:30:40,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20
2025-08-31T09:30:40,433   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
2025-08-31T09:30:40,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80
2025-08-31T09:30:40,437   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
2025-08-31T09:30:40,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH
2025-08-31T09:30:40,441   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
2025-08-31T09:30:40,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh
2025-08-31T09:30:40,445   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
2025-08-31T09:30:40,447   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2
2025-08-31T09:30:40,449   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
2025-08-31T09:30:40,451   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S
2025-08-31T09:30:40,452   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
2025-08-31T09:30:40,455   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73
2025-08-31T09:30:40,456   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
2025-08-31T09:30:40,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5
2025-08-31T09:30:40,460   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
2025-08-31T09:30:40,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2
2025-08-31T09:30:40,463   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
2025-08-31T09:30:40,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1
2025-08-31T09:30:40,467   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
2025-08-31T09:30:40,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl
2025-08-31T09:30:40,471   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
2025-08-31T09:30:40,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s
2025-08-31T09:30:40,475   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
2025-08-31T09:30:40,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A
2025-08-31T09:30:40,478   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
2025-08-31T09:30:40,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25
2025-08-31T09:30:40,482   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
2025-08-31T09:30:40,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi
2025-08-31T09:30:40,486   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
2025-08-31T09:30:40,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n
2025-08-31T09:30:40,490   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
2025-08-31T09:30:40,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n
2025-08-31T09:30:40,493   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
2025-08-31T09:30:40,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75
2025-08-31T09:30:40,497   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
2025-08-31T09:30:40,499   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A
2025-08-31T09:30:40,500   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
2025-08-31T09:30:40,503   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+
2025-08-31T09:30:40,504   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+
2025-08-31T09:30:40,507   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts
2025-08-31T09:30:40,508   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
2025-08-31T09:30:40,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2
2025-08-31T09:30:40,512   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
2025-08-31T09:30:40,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn
2025-08-31T09:30:40,516   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
2025-08-31T09:30:40,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2
2025-08-31T09:30:40,520   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
2025-08-31T09:30:40,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca
2025-08-31T09:30:40,524   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
2025-08-31T09:30:40,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13
2025-08-31T09:30:40,528   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
2025-08-31T09:30:40,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne
2025-08-31T09:30:40,532   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
2025-08-31T09:30:40,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2
2025-08-31T09:30:40,536   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
2025-08-31T09:30:40,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1
2025-08-31T09:30:40,540   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
2025-08-31T09:30:40,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr
2025-08-31T09:30:40,544   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
2025-08-31T09:30:40,546   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25
2025-08-31T09:30:40,548   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
2025-08-31T09:30:40,550   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+
2025-08-31T09:30:40,552   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+
2025-08-31T09:30:40,554   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n
2025-08-31T09:30:40,555   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
2025-08-31T09:30:40,558   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45
2025-08-31T09:30:40,560   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
2025-08-31T09:30:40,562   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al
2025-08-31T09:30:40,564   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
2025-08-31T09:30:40,566   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18
2025-08-31T09:30:40,567   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
2025-08-31T09:30:40,570   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p
2025-08-31T09:30:40,571   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
2025-08-31T09:30:40,574   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3
2025-08-31T09:30:40,575   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
2025-08-31T09:30:40,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58
2025-08-31T09:30:40,579   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
2025-08-31T09:30:40,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s
2025-08-31T09:30:40,583   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
2025-08-31T09:30:40,585   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl
2025-08-31T09:30:40,586   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
2025-08-31T09:30:40,589   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n
2025-08-31T09:30:40,590   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
2025-08-31T09:30:40,593   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B
2025-08-31T09:30:40,594   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
2025-08-31T09:30:40,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr
2025-08-31T09:30:40,598   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
2025-08-31T09:30:40,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A
2025-08-31T09:30:40,602   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
2025-08-31T09:30:40,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B
2025-08-31T09:30:40,605   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
2025-08-31T09:30:40,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40
2025-08-31T09:30:40,609   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
2025-08-31T09:30:40,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis
2025-08-31T09:30:40,612   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
2025-08-31T09:30:40,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2
2025-08-31T09:30:40,616   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
2025-08-31T09:30:40,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2
2025-08-31T09:30:40,620   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
2025-08-31T09:30:40,622   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A
2025-08-31T09:30:40,623   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
2025-08-31T09:30:40,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh
2025-08-31T09:30:40,627   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
2025-08-31T09:30:40,629   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts
2025-08-31T09:30:40,630   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
2025-08-31T09:30:40,633   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f
2025-08-31T09:30:40,634   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
2025-08-31T09:30:40,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O
2025-08-31T09:30:40,638   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
2025-08-31T09:30:40,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2
2025-08-31T09:30:40,641   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
2025-08-31T09:30:40,644   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH
2025-08-31T09:30:40,645   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
2025-08-31T09:30:40,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl
2025-08-31T09:30:40,650   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
2025-08-31T09:30:40,653   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots
2025-08-31T09:30:40,654   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
2025-08-31T09:30:40,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn
2025-08-31T09:30:40,658   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
2025-08-31T09:30:40,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2
2025-08-31T09:30:40,662   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
2025-08-31T09:30:40,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3
2025-08-31T09:30:40,666   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
2025-08-31T09:30:40,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar
2025-08-31T09:30:40,670   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
2025-08-31T09:30:40,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4
2025-08-31T09:30:40,673   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
2025-08-31T09:30:40,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17
2025-08-31T09:30:40,677   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
2025-08-31T09:30:40,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he
2025-08-31T09:30:40,681   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
2025-08-31T09:30:40,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O
2025-08-31T09:30:40,685   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
2025-08-31T09:30:40,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF
2025-08-31T09:30:40,690   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2
2025-08-31T09:30:40,691   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
2025-08-31T09:30:40,694   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1
2025-08-31T09:30:40,695   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
2025-08-31T09:30:40,698   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1
2025-08-31T09:30:40,699   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
2025-08-31T09:30:40,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3
2025-08-31T09:30:40,703   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
2025-08-31T09:30:40,706   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2
2025-08-31T09:30:40,707   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
2025-08-31T09:30:40,710   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1
2025-08-31T09:30:40,711   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
2025-08-31T09:30:40,714   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2
2025-08-31T09:30:40,715   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
2025-08-31T09:30:40,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3
2025-08-31T09:30:40,719   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
2025-08-31T09:30:40,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3
2025-08-31T09:30:40,722   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
2025-08-31T09:30:40,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1
2025-08-31T09:30:40,726   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
2025-08-31T09:30:40,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2
2025-08-31T09:30:40,730   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
2025-08-31T09:30:40,733   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1
2025-08-31T09:30:40,734   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
2025-08-31T09:30:40,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1
2025-08-31T09:30:40,738   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
2025-08-31T09:30:40,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2
2025-08-31T09:30:40,743   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
2025-08-31T09:30:40,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4
2025-08-31T09:30:40,747   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
2025-08-31T09:30:40,749   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2
2025-08-31T09:30:40,750   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
2025-08-31T09:30:40,753   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1
2025-08-31T09:30:40,754   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
2025-08-31T09:30:40,757   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2
2025-08-31T09:30:40,758   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
2025-08-31T09:30:40,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4
2025-08-31T09:30:40,762   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
2025-08-31T09:30:40,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1
2025-08-31T09:30:40,766   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
2025-08-31T09:30:40,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3
2025-08-31T09:30:40,770   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
2025-08-31T09:30:40,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2
2025-08-31T09:30:40,773   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
2025-08-31T09:30:40,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1
2025-08-31T09:30:40,777   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
2025-08-31T09:30:40,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2
2025-08-31T09:30:40,781   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
2025-08-31T09:30:40,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3
2025-08-31T09:30:40,785   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
2025-08-31T09:30:40,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1
2025-08-31T09:30:40,790   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
2025-08-31T09:30:40,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2
2025-08-31T09:30:40,794   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
2025-08-31T09:30:40,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC
2025-08-31T09:30:40,798   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene
2025-08-31T09:30:40,800   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
2025-08-31T09:30:40,802   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene
2025-08-31T09:30:40,804   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
2025-08-31T09:30:40,806   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine
2025-08-31T09:30:40,807   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
2025-08-31T09:30:40,810   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1
2025-08-31T09:30:40,811   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
2025-08-31T09:30:40,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X
2025-08-31T09:30:40,815   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
2025-08-31T09:30:40,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5
2025-08-31T09:30:40,818   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
2025-08-31T09:30:40,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3
2025-08-31T09:30:40,822   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
2025-08-31T09:30:40,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6
2025-08-31T09:30:40,826   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
2025-08-31T09:30:40,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane
2025-08-31T09:30:40,830   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
2025-08-31T09:30:40,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4
2025-08-31T09:30:40,834   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
2025-08-31T09:30:40,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8
2025-08-31T09:30:40,838   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
2025-08-31T09:30:40,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X
2025-08-31T09:30:40,842   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
2025-08-31T09:30:40,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2
2025-08-31T09:30:40,846   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
2025-08-31T09:30:40,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X
2025-08-31T09:30:40,850   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
2025-08-31T09:30:40,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH
2025-08-31T09:30:40,854   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
2025-08-31T09:30:40,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene
2025-08-31T09:30:40,858   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
2025-08-31T09:30:40,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X
2025-08-31T09:30:40,862   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
2025-08-31T09:30:40,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9
2025-08-31T09:30:40,866   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
2025-08-31T09:30:40,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7
2025-08-31T09:30:40,870   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
2025-08-31T09:30:40,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein
2025-08-31T09:30:40,874   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
2025-08-31T09:30:40,877   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10
2025-08-31T09:30:40,878   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
2025-08-31T09:30:40,881   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene
2025-08-31T09:30:40,882   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
2025-08-31T09:30:40,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11
2025-08-31T09:30:40,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4
2025-08-31T09:30:40,888   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
2025-08-31T09:30:40,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4
2025-08-31T09:30:40,892   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
2025-08-31T09:30:40,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3
2025-08-31T09:30:40,896   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
2025-08-31T09:30:40,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br
2025-08-31T09:30:40,900   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
2025-08-31T09:30:40,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2
2025-08-31T09:30:40,903   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
2025-08-31T09:30:40,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4
2025-08-31T09:30:40,907   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
2025-08-31T09:30:40,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6
2025-08-31T09:30:40,911   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
2025-08-31T09:30:40,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2
2025-08-31T09:30:40,915   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
2025-08-31T09:30:40,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6
2025-08-31T09:30:40,919   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
2025-08-31T09:30:40,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2
2025-08-31T09:30:40,923   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
2025-08-31T09:30:40,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2
2025-08-31T09:30:40,927   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
2025-08-31T09:30:40,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2
2025-08-31T09:30:40,930   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
2025-08-31T09:30:40,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl
2025-08-31T09:30:40,935   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
2025-08-31T09:30:40,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme
2025-08-31T09:30:40,939   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
2025-08-31T09:30:40,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6
2025-08-31T09:30:40,942   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
2025-08-31T09:30:40,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh
2025-08-31T09:30:40,946   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
2025-08-31T09:30:40,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3
2025-08-31T09:30:40,950   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
2025-08-31T09:30:40,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3
2025-08-31T09:30:40,954   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
2025-08-31T09:30:40,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2
2025-08-31T09:30:40,958   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
2025-08-31T09:30:40,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2
2025-08-31T09:30:40,962   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
2025-08-31T09:30:40,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh
2025-08-31T09:30:40,966   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
2025-08-31T09:30:40,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2
2025-08-31T09:30:40,969   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
2025-08-31T09:30:40,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO
2025-08-31T09:30:40,974   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6
2025-08-31T09:30:40,976   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
2025-08-31T09:30:40,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8
2025-08-31T09:30:40,980   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
2025-08-31T09:30:40,983   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9
2025-08-31T09:30:40,984   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
2025-08-31T09:30:40,987   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2
2025-08-31T09:30:40,988   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
2025-08-31T09:30:40,991   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1
2025-08-31T09:30:40,992   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
2025-08-31T09:30:40,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10
2025-08-31T09:30:40,996   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
2025-08-31T09:30:40,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5
2025-08-31T09:30:41,000   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
2025-08-31T09:30:41,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7
2025-08-31T09:30:41,003   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
2025-08-31T09:30:41,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3
2025-08-31T09:30:41,007   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
2025-08-31T09:30:41,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4
2025-08-31T09:30:41,011   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
2025-08-31T09:30:41,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22
2025-08-31T09:30:41,017   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04
2025-08-31T09:30:41,018   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
2025-08-31T09:30:41,021   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11
2025-08-31T09:30:41,022   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
2025-08-31T09:30:41,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b
2025-08-31T09:30:41,026   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
2025-08-31T09:30:41,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a
2025-08-31T09:30:41,030   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
2025-08-31T09:30:41,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15
2025-08-31T09:30:41,034   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
2025-08-31T09:30:41,037   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09
2025-08-31T09:30:41,038   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
2025-08-31T09:30:41,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20
2025-08-31T09:30:41,042   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
2025-08-31T09:30:41,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b
2025-08-31T09:30:41,046   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
2025-08-31T09:30:41,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01
2025-08-31T09:30:41,050   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
2025-08-31T09:30:41,053   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b
2025-08-31T09:30:41,054   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
2025-08-31T09:30:41,057   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a
2025-08-31T09:30:41,058   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
2025-08-31T09:30:41,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06
2025-08-31T09:30:41,062   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
2025-08-31T09:30:41,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a
2025-08-31T09:30:41,065   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
2025-08-31T09:30:41,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a
2025-08-31T09:30:41,069   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
2025-08-31T09:30:41,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14
2025-08-31T09:30:41,073   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
2025-08-31T09:30:41,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b
2025-08-31T09:30:41,077   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
2025-08-31T09:30:41,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22
2025-08-31T09:30:41,081   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
2025-08-31T09:30:41,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b
2025-08-31T09:30:41,085   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
2025-08-31T09:30:41,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a
2025-08-31T09:30:41,089   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
2025-08-31T09:30:41,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b
2025-08-31T09:30:41,093   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
2025-08-31T09:30:41,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a
2025-08-31T09:30:41,097   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
2025-08-31T09:30:41,099   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07
2025-08-31T09:30:41,100   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
2025-08-31T09:30:41,103   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a
2025-08-31T09:30:41,104   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
2025-08-31T09:30:41,107   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a
2025-08-31T09:30:41,108   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
2025-08-31T09:30:41,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19
2025-08-31T09:30:41,112   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
2025-08-31T09:30:41,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b
2025-08-31T09:30:41,116   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
2025-08-31T09:30:41,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16
2025-08-31T09:30:41,120   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
2025-08-31T09:30:41,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b
2025-08-31T09:30:41,124   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
2025-08-31T09:30:41,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a
2025-08-31T09:30:41,128   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
2025-08-31T09:30:41,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b
2025-08-31T09:30:41,132   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
2025-08-31T09:30:41,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03
2025-08-31T09:30:41,136   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
2025-08-31T09:30:41,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05
2025-08-31T09:30:41,140   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
2025-08-31T09:30:41,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a
2025-08-31T09:30:41,144   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
2025-08-31T09:30:41,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08
2025-08-31T09:30:41,148   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
2025-08-31T09:30:41,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a
2025-08-31T09:30:41,152   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
2025-08-31T09:30:41,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a
2025-08-31T09:30:41,156   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
2025-08-31T09:30:41,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b
2025-08-31T09:30:41,160   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
2025-08-31T09:30:41,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10
2025-08-31T09:30:41,163   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
2025-08-31T09:30:41,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a
2025-08-31T09:30:41,167   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
2025-08-31T09:30:41,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a
2025-08-31T09:30:41,171   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
2025-08-31T09:30:41,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a
2025-08-31T09:30:41,175   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
2025-08-31T09:30:41,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b
2025-08-31T09:30:41,179   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
2025-08-31T09:30:41,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a
2025-08-31T09:30:41,184   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
2025-08-31T09:30:41,187   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12
2025-08-31T09:30:41,188   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
2025-08-31T09:30:41,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a
2025-08-31T09:30:41,193   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
2025-08-31T09:30:41,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02
2025-08-31T09:30:41,197   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
2025-08-31T09:30:41,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a
2025-08-31T09:30:41,206   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
2025-08-31T09:30:41,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13
2025-08-31T09:30:41,210   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
2025-08-31T09:30:41,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b
2025-08-31T09:30:41,215   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
2025-08-31T09:30:41,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18
2025-08-31T09:30:41,219   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
2025-08-31T09:30:41,222   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a
2025-08-31T09:30:41,223   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
2025-08-31T09:30:41,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a
2025-08-31T09:30:41,228   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
2025-08-31T09:30:41,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a
2025-08-31T09:30:41,233   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
2025-08-31T09:30:41,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21
2025-08-31T09:30:41,237   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
2025-08-31T09:30:41,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b
2025-08-31T09:30:41,241   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
2025-08-31T09:30:41,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17
2025-08-31T09:30:41,248   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
2025-08-31T09:30:41,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a
2025-08-31T09:30:41,252   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
2025-08-31T09:30:41,255   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36
2025-08-31T09:30:41,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9
2025-08-31T09:30:41,258   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
2025-08-31T09:30:41,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4
2025-08-31T09:30:41,262   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
2025-08-31T09:30:41,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9
2025-08-31T09:30:41,266   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
2025-08-31T09:30:41,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13
2025-08-31T09:30:41,269   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
2025-08-31T09:30:41,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5
2025-08-31T09:30:41,273   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
2025-08-31T09:30:41,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4
2025-08-31T09:30:41,278   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
2025-08-31T09:30:41,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7
2025-08-31T09:30:41,282   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
2025-08-31T09:30:41,284   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8
2025-08-31T09:30:41,286   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
2025-08-31T09:30:41,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5
2025-08-31T09:30:41,290   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
2025-08-31T09:30:41,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5
2025-08-31T09:30:41,294   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
2025-08-31T09:30:41,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11
2025-08-31T09:30:41,298   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
2025-08-31T09:30:41,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10
2025-08-31T09:30:41,302   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
2025-08-31T09:30:41,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15
2025-08-31T09:30:41,306   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
2025-08-31T09:30:41,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1
2025-08-31T09:30:41,311   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
2025-08-31T09:30:41,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14
2025-08-31T09:30:41,314   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
2025-08-31T09:30:41,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4
2025-08-31T09:30:41,318   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
2025-08-31T09:30:41,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16
2025-08-31T09:30:41,322   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
2025-08-31T09:30:41,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13
2025-08-31T09:30:41,326   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
2025-08-31T09:30:41,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6
2025-08-31T09:30:41,330   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
2025-08-31T09:30:41,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3
2025-08-31T09:30:41,334   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
2025-08-31T09:30:41,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2
2025-08-31T09:30:41,338   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
2025-08-31T09:30:41,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6
2025-08-31T09:30:41,342   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
2025-08-31T09:30:41,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12
2025-08-31T09:30:41,346   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
2025-08-31T09:30:41,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11
2025-08-31T09:30:41,350   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
2025-08-31T09:30:41,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1
2025-08-31T09:30:41,354   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
2025-08-31T09:30:41,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3
2025-08-31T09:30:41,358   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
2025-08-31T09:30:41,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3
2025-08-31T09:30:41,362   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
2025-08-31T09:30:41,365   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2
2025-08-31T09:30:41,366   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
2025-08-31T09:30:41,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10
2025-08-31T09:30:41,370   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
2025-08-31T09:30:41,373   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6
2025-08-31T09:30:41,374   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
2025-08-31T09:30:41,377   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12
2025-08-31T09:30:41,378   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
2025-08-31T09:30:41,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15
2025-08-31T09:30:41,382   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
2025-08-31T09:30:41,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7
2025-08-31T09:30:41,386   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
2025-08-31T09:30:41,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14
2025-08-31T09:30:41,391   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
2025-08-31T09:30:41,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8
2025-08-31T09:30:41,395   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
2025-08-31T09:30:41,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1
2025-08-31T09:30:41,399   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
2025-08-31T09:30:41,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4
2025-08-31T09:30:41,403   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
2025-08-31T09:30:41,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2
2025-08-31T09:30:41,407   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
2025-08-31T09:30:41,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66
2025-08-31T09:30:41,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04
2025-08-31T09:30:41,416   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
2025-08-31T09:30:41,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A
2025-08-31T09:30:41,420   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
2025-08-31T09:30:41,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B
2025-08-31T09:30:41,424   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
2025-08-31T09:30:41,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B
2025-08-31T09:30:41,428   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
2025-08-31T09:30:41,431   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23
2025-08-31T09:30:41,432   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
2025-08-31T09:30:41,435   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A
2025-08-31T09:30:41,437   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
2025-08-31T09:30:41,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A
2025-08-31T09:30:41,441   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
2025-08-31T09:30:41,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B
2025-08-31T09:30:41,445   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
2025-08-31T09:30:41,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B
2025-08-31T09:30:41,449   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
2025-08-31T09:30:41,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B
2025-08-31T09:30:41,453   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
2025-08-31T09:30:41,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A
2025-08-31T09:30:41,458   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
2025-08-31T09:30:41,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43
2025-08-31T09:30:41,462   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
2025-08-31T09:30:41,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48
2025-08-31T09:30:41,466   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
2025-08-31T09:30:41,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A
2025-08-31T09:30:41,470   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
2025-08-31T09:30:41,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11
2025-08-31T09:30:41,474   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
2025-08-31T09:30:41,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B
2025-08-31T09:30:41,478   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
2025-08-31T09:30:41,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B
2025-08-31T09:30:41,482   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
2025-08-31T09:30:41,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A
2025-08-31T09:30:41,486   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
2025-08-31T09:30:41,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A
2025-08-31T09:30:41,490   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
2025-08-31T09:30:41,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A
2025-08-31T09:30:41,494   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
2025-08-31T09:30:41,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B
2025-08-31T09:30:41,498   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
2025-08-31T09:30:41,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A
2025-08-31T09:30:41,502   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
2025-08-31T09:30:41,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A
2025-08-31T09:30:41,506   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
2025-08-31T09:30:41,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A
2025-08-31T09:30:41,510   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
2025-08-31T09:30:41,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B
2025-08-31T09:30:41,514   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
2025-08-31T09:30:41,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31
2025-08-31T09:30:41,518   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
2025-08-31T09:30:41,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A
2025-08-31T09:30:41,522   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
2025-08-31T09:30:41,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B
2025-08-31T09:30:41,526   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
2025-08-31T09:30:41,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A
2025-08-31T09:30:41,530   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
2025-08-31T09:30:41,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B
2025-08-31T09:30:41,534   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
2025-08-31T09:30:41,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A
2025-08-31T09:30:41,538   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
2025-08-31T09:30:41,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15
2025-08-31T09:30:41,542   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
2025-08-31T09:30:41,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B
2025-08-31T09:30:41,546   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
2025-08-31T09:30:41,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09
2025-08-31T09:30:41,550   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
2025-08-31T09:30:41,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B
2025-08-31T09:30:41,554   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
2025-08-31T09:30:41,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56
2025-08-31T09:30:41,557   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
2025-08-31T09:30:41,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B
2025-08-31T09:30:41,561   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
2025-08-31T09:30:41,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55
2025-08-31T09:30:41,566   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
2025-08-31T09:30:41,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20
2025-08-31T09:30:41,570   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
2025-08-31T09:30:41,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A
2025-08-31T09:30:41,573   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
2025-08-31T09:30:41,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A
2025-08-31T09:30:41,577   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
2025-08-31T09:30:41,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B
2025-08-31T09:30:41,581   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
2025-08-31T09:30:41,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A
2025-08-31T09:30:41,585   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
2025-08-31T09:30:41,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A
2025-08-31T09:30:41,589   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
2025-08-31T09:30:41,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A
2025-08-31T09:30:41,593   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
2025-08-31T09:30:41,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36
2025-08-31T09:30:41,597   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
2025-08-31T09:30:41,600   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A
2025-08-31T09:30:41,601   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
2025-08-31T09:30:41,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01
2025-08-31T09:30:41,605   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
2025-08-31T09:30:41,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B
2025-08-31T09:30:41,609   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
2025-08-31T09:30:41,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47
2025-08-31T09:30:41,613   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
2025-08-31T09:30:41,616   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A
2025-08-31T09:30:41,617   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
2025-08-31T09:30:41,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B
2025-08-31T09:30:41,621   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
2025-08-31T09:30:41,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64
2025-08-31T09:30:41,625   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
2025-08-31T09:30:41,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06
2025-08-31T09:30:41,628   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
2025-08-31T09:30:41,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B
2025-08-31T09:30:41,632   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
2025-08-31T09:30:41,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32
2025-08-31T09:30:41,636   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
2025-08-31T09:30:41,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B
2025-08-31T09:30:41,640   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
2025-08-31T09:30:41,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B
2025-08-31T09:30:41,644   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
2025-08-31T09:30:41,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39
2025-08-31T09:30:41,648   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
2025-08-31T09:30:41,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A
2025-08-31T09:30:41,653   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
2025-08-31T09:30:41,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A
2025-08-31T09:30:41,657   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
2025-08-31T09:30:41,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A
2025-08-31T09:30:41,661   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
2025-08-31T09:30:41,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B
2025-08-31T09:30:41,665   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
2025-08-31T09:30:41,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B
2025-08-31T09:30:41,669   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
2025-08-31T09:30:41,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B
2025-08-31T09:30:41,673   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
2025-08-31T09:30:41,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14
2025-08-31T09:30:41,676   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
2025-08-31T09:30:41,679   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A
2025-08-31T09:30:41,680   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
2025-08-31T09:30:41,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A
2025-08-31T09:30:41,684   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
2025-08-31T09:30:41,687   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A
2025-08-31T09:30:41,689   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
2025-08-31T09:30:41,691   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34
2025-08-31T09:30:41,692   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
2025-08-31T09:30:41,695   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A
2025-08-31T09:30:41,697   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
2025-08-31T09:30:41,699   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38
2025-08-31T09:30:41,701   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
2025-08-31T09:30:41,703   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B
2025-08-31T09:30:41,705   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
2025-08-31T09:30:41,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22
2025-08-31T09:30:41,709   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
2025-08-31T09:30:41,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B
2025-08-31T09:30:41,712   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
2025-08-31T09:30:41,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B
2025-08-31T09:30:41,717   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
2025-08-31T09:30:41,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59
2025-08-31T09:30:41,721   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
2025-08-31T09:30:41,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B
2025-08-31T09:30:41,724   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
2025-08-31T09:30:41,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B
2025-08-31T09:30:41,728   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
2025-08-31T09:30:41,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B
2025-08-31T09:30:41,732   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
2025-08-31T09:30:41,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51
2025-08-31T09:30:41,736   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
2025-08-31T09:30:41,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A
2025-08-31T09:30:41,740   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
2025-08-31T09:30:41,743   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B
2025-08-31T09:30:41,744   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
2025-08-31T09:30:41,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60
2025-08-31T09:30:41,748   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
2025-08-31T09:30:41,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B
2025-08-31T09:30:41,752   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
2025-08-31T09:30:41,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B
2025-08-31T09:30:41,756   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
2025-08-31T09:30:41,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A
2025-08-31T09:30:41,761   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
2025-08-31T09:30:41,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B
2025-08-31T09:30:41,765   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
2025-08-31T09:30:41,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A
2025-08-31T09:30:41,769   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
2025-08-31T09:30:41,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07
2025-08-31T09:30:41,773   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
2025-08-31T09:30:41,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A
2025-08-31T09:30:41,777   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
2025-08-31T09:30:41,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A
2025-08-31T09:30:41,781   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
2025-08-31T09:30:41,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29
2025-08-31T09:30:41,785   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
2025-08-31T09:30:41,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B
2025-08-31T09:30:41,790   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
2025-08-31T09:30:41,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B
2025-08-31T09:30:41,794   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
2025-08-31T09:30:41,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A
2025-08-31T09:30:41,798   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
2025-08-31T09:30:41,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A
2025-08-31T09:30:41,802   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
2025-08-31T09:30:41,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B
2025-08-31T09:30:41,806   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
2025-08-31T09:30:41,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A
2025-08-31T09:30:41,810   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
2025-08-31T09:30:41,813   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A
2025-08-31T09:30:41,814   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
2025-08-31T09:30:41,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B
2025-08-31T09:30:41,818   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
2025-08-31T09:30:41,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B
2025-08-31T09:30:41,822   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
2025-08-31T09:30:41,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B
2025-08-31T09:30:41,826   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
2025-08-31T09:30:41,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A
2025-08-31T09:30:41,830   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
2025-08-31T09:30:41,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B
2025-08-31T09:30:41,833   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
2025-08-31T09:30:41,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19
2025-08-31T09:30:41,837   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
2025-08-31T09:30:41,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A
2025-08-31T09:30:41,841   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
2025-08-31T09:30:41,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A
2025-08-31T09:30:41,845   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
2025-08-31T09:30:41,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A
2025-08-31T09:30:41,849   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
2025-08-31T09:30:41,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B
2025-08-31T09:30:41,853   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
2025-08-31T09:30:41,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B
2025-08-31T09:30:41,857   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
2025-08-31T09:30:41,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24
2025-08-31T09:30:41,862   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
2025-08-31T09:30:41,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A
2025-08-31T09:30:41,866   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
2025-08-31T09:30:41,869   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54
2025-08-31T09:30:41,870   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
2025-08-31T09:30:41,873   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33
2025-08-31T09:30:41,875   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
2025-08-31T09:30:41,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25
2025-08-31T09:30:41,879   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
2025-08-31T09:30:41,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28
2025-08-31T09:30:41,883   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
2025-08-31T09:30:41,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35
2025-08-31T09:30:41,887   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
2025-08-31T09:30:41,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B
2025-08-31T09:30:41,891   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
2025-08-31T09:30:41,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50
2025-08-31T09:30:41,895   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
2025-08-31T09:30:41,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16
2025-08-31T09:30:41,900   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
2025-08-31T09:30:41,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26
2025-08-31T09:30:41,904   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
2025-08-31T09:30:41,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A
2025-08-31T09:30:41,908   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
2025-08-31T09:30:41,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A
2025-08-31T09:30:41,912   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
2025-08-31T09:30:41,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A
2025-08-31T09:30:41,917   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
2025-08-31T09:30:41,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A
2025-08-31T09:30:41,922   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
2025-08-31T09:30:41,925   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B
2025-08-31T09:30:41,926   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
2025-08-31T09:30:41,929   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03
2025-08-31T09:30:41,931   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
2025-08-31T09:30:41,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A
2025-08-31T09:30:41,935   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
2025-08-31T09:30:41,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B
2025-08-31T09:30:41,939   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
2025-08-31T09:30:41,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05
2025-08-31T09:30:41,944   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
2025-08-31T09:30:41,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52
2025-08-31T09:30:41,948   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
2025-08-31T09:30:41,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66
2025-08-31T09:30:41,954   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
2025-08-31T09:30:41,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08
2025-08-31T09:30:41,958   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
2025-08-31T09:30:41,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B
2025-08-31T09:30:41,962   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
2025-08-31T09:30:41,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B
2025-08-31T09:30:41,966   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
2025-08-31T09:30:41,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A
2025-08-31T09:30:41,970   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
2025-08-31T09:30:41,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B
2025-08-31T09:30:41,974   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
2025-08-31T09:30:41,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A
2025-08-31T09:30:41,978   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
2025-08-31T09:30:41,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B
2025-08-31T09:30:41,983   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
2025-08-31T09:30:41,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A
2025-08-31T09:30:41,987   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
2025-08-31T09:30:41,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10
2025-08-31T09:30:41,991   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
2025-08-31T09:30:41,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65
2025-08-31T09:30:41,995   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
2025-08-31T09:30:41,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B
2025-08-31T09:30:41,999   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
2025-08-31T09:30:42,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A
2025-08-31T09:30:42,003   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
2025-08-31T09:30:42,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B
2025-08-31T09:30:42,007   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
2025-08-31T09:30:42,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A
2025-08-31T09:30:42,011   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
2025-08-31T09:30:42,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B
2025-08-31T09:30:42,015   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
2025-08-31T09:30:42,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B
2025-08-31T09:30:42,020   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
2025-08-31T09:30:42,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41
2025-08-31T09:30:42,023   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
2025-08-31T09:30:42,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B
2025-08-31T09:30:42,028   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
2025-08-31T09:30:42,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37
2025-08-31T09:30:42,032   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
2025-08-31T09:30:42,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49
2025-08-31T09:30:42,036   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
2025-08-31T09:30:42,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12
2025-08-31T09:30:42,040   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
2025-08-31T09:30:42,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A
2025-08-31T09:30:42,044   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
2025-08-31T09:30:42,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02
2025-08-31T09:30:42,048   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
2025-08-31T09:30:42,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B
2025-08-31T09:30:42,052   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
2025-08-31T09:30:42,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13
2025-08-31T09:30:42,056   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
2025-08-31T09:30:42,059   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B
2025-08-31T09:30:42,061   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
2025-08-31T09:30:42,063   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B
2025-08-31T09:30:42,065   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
2025-08-31T09:30:42,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45
2025-08-31T09:30:42,069   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
2025-08-31T09:30:42,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62
2025-08-31T09:30:42,074   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
2025-08-31T09:30:42,077   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18
2025-08-31T09:30:42,078   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
2025-08-31T09:30:42,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B
2025-08-31T09:30:42,082   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
2025-08-31T09:30:42,085   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B
2025-08-31T09:30:42,086   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
2025-08-31T09:30:42,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58
2025-08-31T09:30:42,091   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
2025-08-31T09:30:42,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B
2025-08-31T09:30:42,095   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
2025-08-31T09:30:42,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A
2025-08-31T09:30:42,099   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
2025-08-31T09:30:42,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40
2025-08-31T09:30:42,103   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
2025-08-31T09:30:42,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63
2025-08-31T09:30:42,107   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
2025-08-31T09:30:42,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61
2025-08-31T09:30:42,112   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
2025-08-31T09:30:42,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A
2025-08-31T09:30:42,116   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
2025-08-31T09:30:42,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B
2025-08-31T09:30:42,120   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
2025-08-31T09:30:42,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A
2025-08-31T09:30:42,124   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
2025-08-31T09:30:42,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B
2025-08-31T09:30:42,128   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
2025-08-31T09:30:42,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A
2025-08-31T09:30:42,132   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
2025-08-31T09:30:42,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30
2025-08-31T09:30:42,136   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
2025-08-31T09:30:42,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21
2025-08-31T09:30:42,140   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
2025-08-31T09:30:42,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B
2025-08-31T09:30:42,144   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
2025-08-31T09:30:42,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A
2025-08-31T09:30:42,148   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
2025-08-31T09:30:42,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A
2025-08-31T09:30:42,152   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
2025-08-31T09:30:42,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27
2025-08-31T09:30:42,156   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
2025-08-31T09:30:42,159   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53
2025-08-31T09:30:42,160   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
2025-08-31T09:30:42,163   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44
2025-08-31T09:30:42,165   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
2025-08-31T09:30:42,167   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A
2025-08-31T09:30:42,169   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
2025-08-31T09:30:42,172   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42
2025-08-31T09:30:42,173   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
2025-08-31T09:30:42,176   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46
2025-08-31T09:30:42,177   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
2025-08-31T09:30:42,180   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A
2025-08-31T09:30:42,181   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
2025-08-31T09:30:42,184   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B
2025-08-31T09:30:42,185   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
2025-08-31T09:30:42,188   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A
2025-08-31T09:30:42,189   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
2025-08-31T09:30:42,192   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A
2025-08-31T09:30:42,194   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
2025-08-31T09:30:42,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57
2025-08-31T09:30:42,198   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
2025-08-31T09:30:42,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17
2025-08-31T09:30:42,202   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
2025-08-31T09:30:42,205   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B
2025-08-31T09:30:42,206   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
2025-08-31T09:30:42,209   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A
2025-08-31T09:30:42,210   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
2025-08-31T09:30:42,213   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A
2025-08-31T09:30:42,214   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
2025-08-31T09:30:42,217   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A
2025-08-31T09:30:42,218   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
2025-08-31T09:30:42,221   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B
2025-08-31T09:30:42,223   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
2025-08-31T09:30:42,226   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13
2025-08-31T09:30:42,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts
2025-08-31T09:30:42,229   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
2025-08-31T09:30:42,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5
2025-08-31T09:30:42,233   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
2025-08-31T09:30:42,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3
2025-08-31T09:30:42,237   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
2025-08-31T09:30:42,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts
2025-08-31T09:30:42,241   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
2025-08-31T09:30:42,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts
2025-08-31T09:30:42,245   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
2025-08-31T09:30:42,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts
2025-08-31T09:30:42,250   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
2025-08-31T09:30:42,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf
2025-08-31T09:30:42,253   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
2025-08-31T09:30:42,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6
2025-08-31T09:30:42,257   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
2025-08-31T09:30:42,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6
2025-08-31T09:30:42,261   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
2025-08-31T09:30:42,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts
2025-08-31T09:30:42,265   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
2025-08-31T09:30:42,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3
2025-08-31T09:30:42,269   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
2025-08-31T09:30:42,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2
2025-08-31T09:30:42,273   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
2025-08-31T09:30:42,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5
2025-08-31T09:30:42,277   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
2025-08-31T09:30:42,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts
2025-08-31T09:30:42,282   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
2025-08-31T09:30:42,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts
2025-08-31T09:30:42,286   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
2025-08-31T09:30:42,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts
2025-08-31T09:30:42,290   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
2025-08-31T09:30:42,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4
2025-08-31T09:30:42,294   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
2025-08-31T09:30:42,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3
2025-08-31T09:30:42,298   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
2025-08-31T09:30:42,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o
2025-08-31T09:30:42,303   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
2025-08-31T09:30:42,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts
2025-08-31T09:30:42,307   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
2025-08-31T09:30:42,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts
2025-08-31T09:30:42,311   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
2025-08-31T09:30:42,314   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts
2025-08-31T09:30:42,315   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
2025-08-31T09:30:42,319   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2
2025-08-31T09:30:42,320   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
2025-08-31T09:30:42,323   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4
2025-08-31T09:30:42,324   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
2025-08-31T09:30:42,327   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2
2025-08-31T09:30:42,328   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
2025-08-31T09:30:42,331   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts
2025-08-31T09:30:42,333   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
2025-08-31T09:30:42,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts
2025-08-31T09:30:42,337   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
2025-08-31T09:30:42,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4
2025-08-31T09:30:42,341   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
2025-08-31T09:30:42,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3
2025-08-31T09:30:42,345   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
2025-08-31T09:30:42,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP
2025-08-31T09:30:42,351   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+
2025-08-31T09:30:42,353   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+
2025-08-31T09:30:42,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68
2025-08-31T09:30:42,357   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
2025-08-31T09:30:42,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+
2025-08-31T09:30:42,361   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+
2025-08-31T09:30:42,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43
2025-08-31T09:30:42,365   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
2025-08-31T09:30:42,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48
2025-08-31T09:30:42,369   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
2025-08-31T09:30:42,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11
2025-08-31T09:30:42,373   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
2025-08-31T09:30:42,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62
2025-08-31T09:30:42,378   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
2025-08-31T09:30:42,381   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n
2025-08-31T09:30:42,382   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
2025-08-31T09:30:42,385   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li
2025-08-31T09:30:42,386   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
2025-08-31T09:30:42,389   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74
2025-08-31T09:30:42,390   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
2025-08-31T09:30:42,393   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+
2025-08-31T09:30:42,394   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+
2025-08-31T09:30:42,397   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67
2025-08-31T09:30:42,398   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
2025-08-31T09:30:42,401   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h
2025-08-31T09:30:42,403   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
2025-08-31T09:30:42,405   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20
2025-08-31T09:30:42,407   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
2025-08-31T09:30:42,409   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71
2025-08-31T09:30:42,411   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
2025-08-31T09:30:42,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s
2025-08-31T09:30:42,414   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
2025-08-31T09:30:42,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8
2025-08-31T09:30:42,418   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
2025-08-31T09:30:42,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si
2025-08-31T09:30:42,422   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
2025-08-31T09:30:42,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na
2025-08-31T09:30:42,426   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
2025-08-31T09:30:42,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg
2025-08-31T09:30:42,430   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
2025-08-31T09:30:42,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+
2025-08-31T09:30:42,434   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+
2025-08-31T09:30:42,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60
2025-08-31T09:30:42,438   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
2025-08-31T09:30:42,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14
2025-08-31T09:30:42,442   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
2025-08-31T09:30:42,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73
2025-08-31T09:30:42,447   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
2025-08-31T09:30:42,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34
2025-08-31T09:30:42,451   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
2025-08-31T09:30:42,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o
2025-08-31T09:30:42,455   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
2025-08-31T09:30:42,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22
2025-08-31T09:30:42,459   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
2025-08-31T09:30:42,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59
2025-08-31T09:30:42,463   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
2025-08-31T09:30:42,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+
2025-08-31T09:30:42,467   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+
2025-08-31T09:30:42,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51
2025-08-31T09:30:42,471   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
2025-08-31T09:30:42,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78
2025-08-31T09:30:42,475   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
2025-08-31T09:30:42,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75
2025-08-31T09:30:42,479   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
2025-08-31T09:30:42,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+
2025-08-31T09:30:42,483   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+
2025-08-31T09:30:42,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be
2025-08-31T09:30:42,487   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
2025-08-31T09:30:42,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+
2025-08-31T09:30:42,491   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+
2025-08-31T09:30:42,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65
2025-08-31T09:30:42,495   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
2025-08-31T09:30:42,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p
2025-08-31T09:30:42,499   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
2025-08-31T09:30:42,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66
2025-08-31T09:30:42,504   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
2025-08-31T09:30:42,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c
2025-08-31T09:30:42,508   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
2025-08-31T09:30:42,511   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19
2025-08-31T09:30:42,512   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
2025-08-31T09:30:42,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b
2025-08-31T09:30:42,516   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
2025-08-31T09:30:42,518   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25
2025-08-31T09:30:42,520   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
2025-08-31T09:30:42,522   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+
2025-08-31T09:30:42,523   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+
2025-08-31T09:30:42,526   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76
2025-08-31T09:30:42,527   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
2025-08-31T09:30:42,530   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26
2025-08-31T09:30:42,532   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
2025-08-31T09:30:42,534   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl
2025-08-31T09:30:42,536   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
2025-08-31T09:30:42,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f
2025-08-31T09:30:42,540   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
2025-08-31T09:30:42,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64
2025-08-31T09:30:42,544   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
2025-08-31T09:30:42,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+
2025-08-31T09:30:42,548   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+
2025-08-31T09:30:42,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80
2025-08-31T09:30:42,552   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
2025-08-31T09:30:42,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137
2025-08-31T09:30:42,556   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
2025-08-31T09:30:42,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79
2025-08-31T09:30:42,560   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
2025-08-31T09:30:42,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+
2025-08-31T09:30:42,564   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+
2025-08-31T09:30:42,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+
2025-08-31T09:30:42,568   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+
2025-08-31T09:30:42,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61
2025-08-31T09:30:42,572   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
2025-08-31T09:30:42,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+
2025-08-31T09:30:42,576   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+
2025-08-31T09:30:42,579   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37
2025-08-31T09:30:42,580   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
2025-08-31T09:30:42,583   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12
2025-08-31T09:30:42,584   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
2025-08-31T09:30:42,587   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13
2025-08-31T09:30:42,588   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
2025-08-31T09:30:42,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+
2025-08-31T09:30:42,592   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+
2025-08-31T09:30:42,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45
2025-08-31T09:30:42,596   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
2025-08-31T09:30:42,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al
2025-08-31T09:30:42,600   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
2025-08-31T09:30:42,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77
2025-08-31T09:30:42,604   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
2025-08-31T09:30:42,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18
2025-08-31T09:30:42,609   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
2025-08-31T09:30:42,612   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72
2025-08-31T09:30:42,613   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
2025-08-31T09:30:42,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70
2025-08-31T09:30:42,616   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
2025-08-31T09:30:42,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63
2025-08-31T09:30:42,620   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
2025-08-31T09:30:42,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30
2025-08-31T09:30:42,624   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
2025-08-31T09:30:42,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65
2025-08-31T09:30:42,628   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
2025-08-31T09:30:42,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44
2025-08-31T09:30:42,632   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
2025-08-31T09:30:42,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+
2025-08-31T09:30:42,636   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+
2025-08-31T09:30:42,640   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF
2025-08-31T09:30:42,642   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7
2025-08-31T09:30:42,643   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
2025-08-31T09:30:42,646   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2
2025-08-31T09:30:42,647   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
2025-08-31T09:30:42,650   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1
2025-08-31T09:30:42,651   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
2025-08-31T09:30:42,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11
2025-08-31T09:30:42,655   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
2025-08-31T09:30:42,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4
2025-08-31T09:30:42,660   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
2025-08-31T09:30:42,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10
2025-08-31T09:30:42,664   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
2025-08-31T09:30:42,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3
2025-08-31T09:30:42,668   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
2025-08-31T09:30:42,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4
2025-08-31T09:30:42,672   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
2025-08-31T09:30:42,675   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15
2025-08-31T09:30:42,677   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
2025-08-31T09:30:42,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6
2025-08-31T09:30:42,681   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
2025-08-31T09:30:42,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1
2025-08-31T09:30:42,685   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
2025-08-31T09:30:42,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8
2025-08-31T09:30:42,689   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
2025-08-31T09:30:42,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12
2025-08-31T09:30:42,694   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
2025-08-31T09:30:42,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14
2025-08-31T09:30:42,697   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
2025-08-31T09:30:42,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13
2025-08-31T09:30:42,701   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
2025-08-31T09:30:42,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9
2025-08-31T09:30:42,705   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
2025-08-31T09:30:42,708   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3
2025-08-31T09:30:42,709   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
2025-08-31T09:30:42,712   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5
2025-08-31T09:30:42,714   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
2025-08-31T09:30:42,716   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2
2025-08-31T09:30:42,717   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
2025-08-31T09:30:42,720   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel
2025-08-31T09:30:42,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42
2025-08-31T09:30:42,723   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
2025-08-31T09:30:42,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3
2025-08-31T09:30:42,727   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
2025-08-31T09:30:42,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1
2025-08-31T09:30:42,731   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
2025-08-31T09:30:42,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0
2025-08-31T09:30:42,735   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
2025-08-31T09:30:42,738   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0
2025-08-31T09:30:42,740   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
2025-08-31T09:30:42,742   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42
2025-08-31T09:30:42,744   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
2025-08-31T09:30:42,746   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2
2025-08-31T09:30:42,748   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
2025-08-31T09:30:42,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71
2025-08-31T09:30:42,752   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
2025-08-31T09:30:42,755   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41
2025-08-31T09:30:42,756   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
2025-08-31T09:30:42,759   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2
2025-08-31T09:30:42,760   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
2025-08-31T09:30:42,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2
2025-08-31T09:30:42,764   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
2025-08-31T09:30:42,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0
2025-08-31T09:30:42,769   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
2025-08-31T09:30:42,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72
2025-08-31T09:30:42,773   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
2025-08-31T09:30:42,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43
2025-08-31T09:30:42,777   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
2025-08-31T09:30:42,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71
2025-08-31T09:30:42,780   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
2025-08-31T09:30:42,783   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1
2025-08-31T09:30:42,784   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
2025-08-31T09:30:42,787   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0
2025-08-31T09:30:42,788   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
2025-08-31T09:30:42,791   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1
2025-08-31T09:30:42,792   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
2025-08-31T09:30:42,795   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72
2025-08-31T09:30:42,796   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
2025-08-31T09:30:42,799   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2
2025-08-31T09:30:42,800   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
2025-08-31T09:30:42,803   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4
2025-08-31T09:30:42,805   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
2025-08-31T09:30:42,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2
2025-08-31T09:30:42,809   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
2025-08-31T09:30:42,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41
2025-08-31T09:30:42,813   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
2025-08-31T09:30:42,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3
2025-08-31T09:30:42,817   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
2025-08-31T09:30:42,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3
2025-08-31T09:30:42,821   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
2025-08-31T09:30:42,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2
2025-08-31T09:30:42,825   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
2025-08-31T09:30:42,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41
2025-08-31T09:30:42,830   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
2025-08-31T09:30:42,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1
2025-08-31T09:30:42,834   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
2025-08-31T09:30:42,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0
2025-08-31T09:30:42,838   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
2025-08-31T09:30:42,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3
2025-08-31T09:30:42,842   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
2025-08-31T09:30:42,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42
2025-08-31T09:30:42,845   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
2025-08-31T09:30:42,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6
2025-08-31T09:30:42,850   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2
2025-08-31T09:30:42,851   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
2025-08-31T09:30:42,854   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4
2025-08-31T09:30:42,856   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
2025-08-31T09:30:42,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5
2025-08-31T09:30:42,860   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
2025-08-31T09:30:42,863   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6
2025-08-31T09:30:42,864   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
2025-08-31T09:30:42,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2
2025-08-31T09:30:42,868   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
2025-08-31T09:30:42,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5
2025-08-31T09:30:42,871   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
2025-08-31T09:30:42,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7
2025-08-31T09:30:42,875   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
2025-08-31T09:30:42,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7
2025-08-31T09:30:42,882   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
2025-08-31T09:30:42,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3
2025-08-31T09:30:42,887   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
2025-08-31T09:30:42,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6
2025-08-31T09:30:42,891   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
2025-08-31T09:30:42,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3
2025-08-31T09:30:42,896   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
2025-08-31T09:30:42,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4
2025-08-31T09:30:42,900   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
2025-08-31T09:30:42,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21
2025-08-31T09:30:42,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470
2025-08-31T09:30:42,908   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
2025-08-31T09:30:42,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691
2025-08-31T09:30:42,913   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
2025-08-31T09:30:42,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII
2025-08-31T09:30:42,918   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
2025-08-31T09:30:42,921   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224
2025-08-31T09:30:42,923   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
2025-08-31T09:30:42,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR
2025-08-31T09:30:42,928   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
2025-08-31T09:30:42,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366
2025-08-31T09:30:42,932   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
2025-08-31T09:30:42,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300
2025-08-31T09:30:42,936   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
2025-08-31T09:30:42,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL
2025-08-31T09:30:42,940   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
2025-08-31T09:30:42,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab
2025-08-31T09:30:42,944   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
2025-08-31T09:30:42,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412
2025-08-31T09:30:42,948   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
2025-08-31T09:30:42,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99
2025-08-31T09:30:42,952   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
2025-08-31T09:30:42,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII
2025-08-31T09:30:42,957   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
2025-08-31T09:30:42,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357
2025-08-31T09:30:42,961   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
2025-08-31T09:30:42,964   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b
2025-08-31T09:30:42,965   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
2025-08-31T09:30:42,968   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL
2025-08-31T09:30:42,969   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
2025-08-31T09:30:42,972   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114
2025-08-31T09:30:42,973   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
2025-08-31T09:30:42,976   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab
2025-08-31T09:30:42,977   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
2025-08-31T09:30:42,980   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444
2025-08-31T09:30:42,981   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
2025-08-31T09:30:42,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR
2025-08-31T09:30:42,985   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
2025-08-31T09:30:42,988   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b
2025-08-31T09:30:42,989   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
2025-08-31T09:30:42,992   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215
2025-08-31T09:30:42,993   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
2025-08-31T09:30:42,996   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10
2025-08-31T09:30:42,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+
2025-08-31T09:30:42,999   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+
2025-08-31T09:30:43,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+
2025-08-31T09:30:43,004   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+
2025-08-31T09:30:43,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+
2025-08-31T09:30:43,009   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+
2025-08-31T09:30:43,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+
2025-08-31T09:30:43,012   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+
2025-08-31T09:30:43,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+
2025-08-31T09:30:43,016   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+
2025-08-31T09:30:43,019   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+
2025-08-31T09:30:43,020   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+
2025-08-31T09:30:43,023   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+
2025-08-31T09:30:43,024   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+
2025-08-31T09:30:43,027   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+
2025-08-31T09:30:43,028   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+
2025-08-31T09:30:43,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg
2025-08-31T09:30:43,032   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
2025-08-31T09:30:43,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+
2025-08-31T09:30:43,036   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+
2025-08-31T09:30:43,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o
2025-08-31T09:30:43,040   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
2025-08-31T09:30:43,042   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be
2025-08-31T09:30:43,044   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
2025-08-31T09:30:43,046   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+
2025-08-31T09:30:43,048   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+
2025-08-31T09:30:43,050   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2
2025-08-31T09:30:43,051   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
2025-08-31T09:30:43,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s
2025-08-31T09:30:43,055   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
2025-08-31T09:30:43,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3
2025-08-31T09:30:43,059   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
2025-08-31T09:30:43,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6
2025-08-31T09:30:43,063   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
2025-08-31T09:30:43,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4
2025-08-31T09:30:43,067   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
2025-08-31T09:30:43,071   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4
2025-08-31T09:30:43,072   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
2025-08-31T09:30:43,075   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3
2025-08-31T09:30:43,076   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
2025-08-31T09:30:43,081   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11
2025-08-31T09:30:43,083   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn
2025-08-31T09:30:43,084   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
2025-08-31T09:30:43,087   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn
2025-08-31T09:30:43,088   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
2025-08-31T09:30:43,091   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f
2025-08-31T09:30:43,093   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
2025-08-31T09:30:43,095   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf
2025-08-31T09:30:43,097   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
2025-08-31T09:30:43,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo
2025-08-31T09:30:43,101   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
2025-08-31T09:30:43,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2
2025-08-31T09:30:43,105   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
2025-08-31T09:30:43,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3
2025-08-31T09:30:43,109   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
2025-08-31T09:30:43,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn
2025-08-31T09:30:43,113   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
2025-08-31T09:30:43,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf
2025-08-31T09:30:43,117   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
2025-08-31T09:30:43,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2
2025-08-31T09:30:43,121   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
2025-08-31T09:30:43,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo
2025-08-31T09:30:43,125   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
2025-08-31T09:30:43,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing
2025-08-31T09:30:43,129   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
2025-08-31T09:30:43,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf
2025-08-31T09:30:43,133   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
2025-08-31T09:30:43,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o
2025-08-31T09:30:43,136   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
2025-08-31T09:30:43,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh
2025-08-31T09:30:43,140   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
2025-08-31T09:30:43,144   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n
2025-08-31T09:30:43,145   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
2025-08-31T09:30:43,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2
2025-08-31T09:30:43,150   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
2025-08-31T09:30:43,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip
2025-08-31T09:30:43,154   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
2025-08-31T09:30:43,156   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco
2025-08-31T09:30:43,158   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
2025-08-31T09:30:43,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh
2025-08-31T09:30:43,162   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
2025-08-31T09:30:43,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc
2025-08-31T09:30:43,166   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
2025-08-31T09:30:43,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi
2025-08-31T09:30:43,170   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
2025-08-31T09:30:43,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2
2025-08-31T09:30:43,175   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
2025-08-31T09:30:43,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4
2025-08-31T09:30:43,179   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
2025-08-31T09:30:43,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio
2025-08-31T09:30:43,183   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
2025-08-31T09:30:43,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o
2025-08-31T09:30:43,186   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
2025-08-31T09:30:43,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde
2025-08-31T09:30:43,190   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
2025-08-31T09:30:43,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs
2025-08-31T09:30:43,194   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
2025-08-31T09:30:43,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h
2025-08-31T09:30:43,198   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
2025-08-31T09:30:43,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene
2025-08-31T09:30:43,202   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
2025-08-31T09:30:43,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo
2025-08-31T09:30:43,206   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
2025-08-31T09:30:43,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne
2025-08-31T09:30:43,210   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
2025-08-31T09:30:43,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn
2025-08-31T09:30:43,214   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
2025-08-31T09:30:43,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2
2025-08-31T09:30:43,217   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
2025-08-31T09:30:43,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s
2025-08-31T09:30:43,221   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
2025-08-31T09:30:43,224   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si
2025-08-31T09:30:43,225   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
2025-08-31T09:30:43,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh
2025-08-31T09:30:43,229   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
2025-08-31T09:30:43,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc
2025-08-31T09:30:43,233   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
2025-08-31T09:30:43,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3
2025-08-31T09:30:43,236   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
2025-08-31T09:30:43,239   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs
2025-08-31T09:30:43,240   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
2025-08-31T09:30:43,243   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf
2025-08-31T09:30:43,244   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
2025-08-31T09:30:43,247   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo
2025-08-31T09:30:43,248   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
2025-08-31T09:30:43,251   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco
2025-08-31T09:30:43,252   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
2025-08-31T09:30:43,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf
2025-08-31T09:30:43,257   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
2025-08-31T09:30:43,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2
2025-08-31T09:30:43,261   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
2025-08-31T09:30:43,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic
2025-08-31T09:30:43,265   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
2025-08-31T09:30:43,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh
2025-08-31T09:30:43,270   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
2025-08-31T09:30:43,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co
2025-08-31T09:30:43,274   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
2025-08-31T09:30:43,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o
2025-08-31T09:30:43,278   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
2025-08-31T09:30:43,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh
2025-08-31T09:30:43,282   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
2025-08-31T09:30:43,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4
2025-08-31T09:30:43,286   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
2025-08-31T09:30:43,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2
2025-08-31T09:30:43,290   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
2025-08-31T09:30:43,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf
2025-08-31T09:30:43,294   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
2025-08-31T09:30:43,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4
2025-08-31T09:30:43,298   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
2025-08-31T09:30:43,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh
2025-08-31T09:30:43,302   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
2025-08-31T09:30:43,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh
2025-08-31T09:30:43,306   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
2025-08-31T09:30:43,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf
2025-08-31T09:30:43,310   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
2025-08-31T09:30:43,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2
2025-08-31T09:30:43,314   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
2025-08-31T09:30:43,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch
2025-08-31T09:30:43,318   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
2025-08-31T09:30:43,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so
2025-08-31T09:30:43,322   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
2025-08-31T09:30:43,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof
2025-08-31T09:30:43,326   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
2025-08-31T09:30:43,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3
2025-08-31T09:30:43,330   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
2025-08-31T09:30:43,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3
2025-08-31T09:30:43,334   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
2025-08-31T09:30:43,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h
2025-08-31T09:30:43,337   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
2025-08-31T09:30:43,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6
2025-08-31T09:30:43,341   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
2025-08-31T09:30:43,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2
2025-08-31T09:30:43,345   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
2025-08-31T09:30:43,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be
2025-08-31T09:30:43,349   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
2025-08-31T09:30:43,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof
2025-08-31T09:30:43,353   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
2025-08-31T09:30:43,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o
2025-08-31T09:30:43,357   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
2025-08-31T09:30:43,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo
2025-08-31T09:30:43,361   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
2025-08-31T09:30:43,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3
2025-08-31T09:30:43,365   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
2025-08-31T09:30:43,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p
2025-08-31T09:30:43,369   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
2025-08-31T09:30:43,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic
2025-08-31T09:30:43,373   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
2025-08-31T09:30:43,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif
2025-08-31T09:30:43,377   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
2025-08-31T09:30:43,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c
2025-08-31T09:30:43,380   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
2025-08-31T09:30:43,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2
2025-08-31T09:30:43,384   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
2025-08-31T09:30:43,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f
2025-08-31T09:30:43,388   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
2025-08-31T09:30:43,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene
2025-08-31T09:30:43,392   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
2025-08-31T09:30:43,394   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol
2025-08-31T09:30:43,395   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
2025-08-31T09:30:43,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3
2025-08-31T09:30:43,399   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
2025-08-31T09:30:43,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v
2025-08-31T09:30:43,403   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
2025-08-31T09:30:43,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b
2025-08-31T09:30:43,407   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
2025-08-31T09:30:43,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof
2025-08-31T09:30:43,411   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
2025-08-31T09:30:43,413   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono
2025-08-31T09:30:43,414   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
2025-08-31T09:30:43,417   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2
2025-08-31T09:30:43,419   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
2025-08-31T09:30:43,421   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2
2025-08-31T09:30:43,423   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
2025-08-31T09:30:43,425   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl
2025-08-31T09:30:43,426   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
2025-08-31T09:30:43,429   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f
2025-08-31T09:30:43,430   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
2025-08-31T09:30:43,433   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o
2025-08-31T09:30:43,434   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
2025-08-31T09:30:43,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2
2025-08-31T09:30:43,438   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
2025-08-31T09:30:43,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn
2025-08-31T09:30:43,442   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
2025-08-31T09:30:43,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4
2025-08-31T09:30:43,446   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
2025-08-31T09:30:43,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f
2025-08-31T09:30:43,450   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
2025-08-31T09:30:43,452   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene
2025-08-31T09:30:43,453   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
2025-08-31T09:30:43,456   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4
2025-08-31T09:30:43,457   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
2025-08-31T09:30:43,460   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2
2025-08-31T09:30:43,461   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
2025-08-31T09:30:43,464   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2
2025-08-31T09:30:43,465   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
2025-08-31T09:30:43,468   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh
2025-08-31T09:30:43,469   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
2025-08-31T09:30:43,472   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl
2025-08-31T09:30:43,473   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
2025-08-31T09:30:43,476   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo
2025-08-31T09:30:43,477   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
2025-08-31T09:30:43,480   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2
2025-08-31T09:30:43,482   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
2025-08-31T09:30:43,484   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2
2025-08-31T09:30:43,485   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
2025-08-31T09:30:43,488   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2
2025-08-31T09:30:43,489   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
2025-08-31T09:30:43,492   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh
2025-08-31T09:30:43,493   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
2025-08-31T09:30:43,496   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2
2025-08-31T09:30:43,497   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
2025-08-31T09:30:43,500   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh
2025-08-31T09:30:43,501   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
2025-08-31T09:30:43,504   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl
2025-08-31T09:30:43,505   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
2025-08-31T09:30:43,508   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s
2025-08-31T09:30:43,509   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
2025-08-31T09:30:43,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3
2025-08-31T09:30:43,513   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
2025-08-31T09:30:43,515   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch
2025-08-31T09:30:43,516   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
2025-08-31T09:30:43,519   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl
2025-08-31T09:30:43,521   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
2025-08-31T09:30:43,523   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane
2025-08-31T09:30:43,525   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
2025-08-31T09:30:43,527   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch
2025-08-31T09:30:43,528   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
2025-08-31T09:30:43,531   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs
2025-08-31T09:30:43,532   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
2025-08-31T09:30:43,535   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6
2025-08-31T09:30:43,536   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
2025-08-31T09:30:43,539   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn
2025-08-31T09:30:43,540   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
2025-08-31T09:30:43,543   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2
2025-08-31T09:30:43,544   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
2025-08-31T09:30:43,547   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3
2025-08-31T09:30:43,548   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
2025-08-31T09:30:43,551   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2
2025-08-31T09:30:43,552   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
2025-08-31T09:30:43,555   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih
2025-08-31T09:30:43,556   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
2025-08-31T09:30:43,559   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co
2025-08-31T09:30:43,560   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
2025-08-31T09:30:43,563   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6
2025-08-31T09:30:43,564   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
2025-08-31T09:30:43,567   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al
2025-08-31T09:30:43,568   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
2025-08-31T09:30:43,571   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2
2025-08-31T09:30:43,572   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
2025-08-31T09:30:43,575   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3
2025-08-31T09:30:43,576   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
2025-08-31T09:30:43,578   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4
2025-08-31T09:30:43,579   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
2025-08-31T09:30:43,582   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2
2025-08-31T09:30:43,583   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
2025-08-31T09:30:43,586   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4
2025-08-31T09:30:43,587   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
2025-08-31T09:30:43,590   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn
2025-08-31T09:30:43,591   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
2025-08-31T09:30:43,594   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono
2025-08-31T09:30:43,595   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
2025-08-31T09:30:43,597   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no
2025-08-31T09:30:43,599   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
2025-08-31T09:30:43,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3
2025-08-31T09:30:43,602   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
2025-08-31T09:30:43,605   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2
2025-08-31T09:30:43,606   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
2025-08-31T09:30:43,609   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of
2025-08-31T09:30:43,610   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
2025-08-31T09:30:43,613   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o
2025-08-31T09:30:43,614   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
2025-08-31T09:30:43,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh
2025-08-31T09:30:43,618   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
2025-08-31T09:30:43,620   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2
2025-08-31T09:30:43,621   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
2025-08-31T09:30:43,624   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co
2025-08-31T09:30:43,625   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
2025-08-31T09:30:43,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane
2025-08-31T09:30:43,629   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
2025-08-31T09:30:43,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f
2025-08-31T09:30:43,632   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
2025-08-31T09:30:43,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal
2025-08-31T09:30:43,636   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
2025-08-31T09:30:43,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl
2025-08-31T09:30:43,640   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
2025-08-31T09:30:43,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno
2025-08-31T09:30:43,644   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
2025-08-31T09:30:43,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn
2025-08-31T09:30:43,648   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
2025-08-31T09:30:43,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2
2025-08-31T09:30:43,652   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
2025-08-31T09:30:43,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol
2025-08-31T09:30:43,656   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
2025-08-31T09:30:43,659   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene
2025-08-31T09:30:43,660   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
2025-08-31T09:30:43,663   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3
2025-08-31T09:30:43,664   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
2025-08-31T09:30:43,667   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane
2025-08-31T09:30:43,668   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
2025-08-31T09:30:43,671   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c
2025-08-31T09:30:43,672   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
2025-08-31T09:30:43,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2
2025-08-31T09:30:43,675   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
2025-08-31T09:30:43,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno
2025-08-31T09:30:43,679   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
2025-08-31T09:30:43,683   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15
2025-08-31T09:30:43,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c
2025-08-31T09:30:43,686   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
2025-08-31T09:30:43,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c
2025-08-31T09:30:43,690   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
2025-08-31T09:30:43,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c
2025-08-31T09:30:43,694   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
2025-08-31T09:30:43,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a
2025-08-31T09:30:43,698   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
2025-08-31T09:30:43,701   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b
2025-08-31T09:30:43,702   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
2025-08-31T09:30:43,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a
2025-08-31T09:30:43,706   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
2025-08-31T09:30:43,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b
2025-08-31T09:30:43,710   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
2025-08-31T09:30:43,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a
2025-08-31T09:30:43,714   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
2025-08-31T09:30:43,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a
2025-08-31T09:30:43,718   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
2025-08-31T09:30:43,721   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b
2025-08-31T09:30:43,722   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
2025-08-31T09:30:43,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d
2025-08-31T09:30:43,726   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
2025-08-31T09:30:43,729   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b
2025-08-31T09:30:43,730   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
2025-08-31T09:30:43,732   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a
2025-08-31T09:30:43,734   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
2025-08-31T09:30:43,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b
2025-08-31T09:30:43,737   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
2025-08-31T09:30:43,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a
2025-08-31T09:30:43,741   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
2025-08-31T09:30:43,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b
2025-08-31T09:30:43,745   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
2025-08-31T09:30:43,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b
2025-08-31T09:30:43,749   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
2025-08-31T09:30:43,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b
2025-08-31T09:30:43,753   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
2025-08-31T09:30:43,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a
2025-08-31T09:30:43,757   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
2025-08-31T09:30:43,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a
2025-08-31T09:30:43,761   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
2025-08-31T09:30:43,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a
2025-08-31T09:30:43,765   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
2025-08-31T09:30:43,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b
2025-08-31T09:30:43,769   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
2025-08-31T09:30:43,771   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a
2025-08-31T09:30:43,773   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
2025-08-31T09:30:43,775   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d
2025-08-31T09:30:43,776   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
2025-08-31T09:30:43,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b
2025-08-31T09:30:43,780   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
2025-08-31T09:30:43,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43
2025-08-31T09:30:43,786   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04
2025-08-31T09:30:43,787   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
2025-08-31T09:30:43,790   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23
2025-08-31T09:30:43,791   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
2025-08-31T09:30:43,793   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43
2025-08-31T09:30:43,795   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
2025-08-31T09:30:43,797   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11
2025-08-31T09:30:43,798   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
2025-08-31T09:30:43,801   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4
2025-08-31T09:30:43,802   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
2025-08-31T09:30:43,805   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2
2025-08-31T09:30:43,806   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
2025-08-31T09:30:43,809   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31
2025-08-31T09:30:43,810   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
2025-08-31T09:30:43,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15
2025-08-31T09:30:43,814   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
2025-08-31T09:30:43,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09
2025-08-31T09:30:43,818   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
2025-08-31T09:30:43,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20
2025-08-31T09:30:43,822   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
2025-08-31T09:30:43,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36
2025-08-31T09:30:43,826   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
2025-08-31T09:30:43,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01
2025-08-31T09:30:43,830   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
2025-08-31T09:30:43,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06
2025-08-31T09:30:43,834   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
2025-08-31T09:30:43,837   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32
2025-08-31T09:30:43,838   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
2025-08-31T09:30:43,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39
2025-08-31T09:30:43,842   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
2025-08-31T09:30:43,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4
2025-08-31T09:30:43,846   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
2025-08-31T09:30:43,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2
2025-08-31T09:30:43,850   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
2025-08-31T09:30:43,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2
2025-08-31T09:30:43,854   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
2025-08-31T09:30:43,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14
2025-08-31T09:30:43,858   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
2025-08-31T09:30:43,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2
2025-08-31T09:30:43,862   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
2025-08-31T09:30:43,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34
2025-08-31T09:30:43,866   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
2025-08-31T09:30:43,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH
2025-08-31T09:30:43,869   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
2025-08-31T09:30:43,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38
2025-08-31T09:30:43,873   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
2025-08-31T09:30:43,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22
2025-08-31T09:30:43,877   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
2025-08-31T09:30:43,880   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2
2025-08-31T09:30:43,881   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
2025-08-31T09:30:43,884   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2
2025-08-31T09:30:43,885   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
2025-08-31T09:30:43,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH
2025-08-31T09:30:43,888   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
2025-08-31T09:30:43,891   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07
2025-08-31T09:30:43,892   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
2025-08-31T09:30:43,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2
2025-08-31T09:30:43,896   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
2025-08-31T09:30:43,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29
2025-08-31T09:30:43,900   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
2025-08-31T09:30:43,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19
2025-08-31T09:30:43,904   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
2025-08-31T09:30:43,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24
2025-08-31T09:30:43,908   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
2025-08-31T09:30:43,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33
2025-08-31T09:30:43,912   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
2025-08-31T09:30:43,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25
2025-08-31T09:30:43,916   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
2025-08-31T09:30:43,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28
2025-08-31T09:30:43,920   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
2025-08-31T09:30:43,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35
2025-08-31T09:30:43,924   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
2025-08-31T09:30:43,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16
2025-08-31T09:30:43,928   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
2025-08-31T09:30:43,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26
2025-08-31T09:30:43,932   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
2025-08-31T09:30:43,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03
2025-08-31T09:30:43,936   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
2025-08-31T09:30:43,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05
2025-08-31T09:30:43,940   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
2025-08-31T09:30:43,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2
2025-08-31T09:30:43,944   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
2025-08-31T09:30:43,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08
2025-08-31T09:30:43,948   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
2025-08-31T09:30:43,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10
2025-08-31T09:30:43,953   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
2025-08-31T09:30:43,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41
2025-08-31T09:30:43,957   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
2025-08-31T09:30:43,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3
2025-08-31T09:30:43,962   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
2025-08-31T09:30:43,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37
2025-08-31T09:30:43,966   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
2025-08-31T09:30:43,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12
2025-08-31T09:30:43,970   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
2025-08-31T09:30:43,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02
2025-08-31T09:30:43,974   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
2025-08-31T09:30:43,977   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13
2025-08-31T09:30:43,978   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
2025-08-31T09:30:43,981   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18
2025-08-31T09:30:43,982   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
2025-08-31T09:30:43,984   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40
2025-08-31T09:30:43,986   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
2025-08-31T09:30:43,989   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2
2025-08-31T09:30:43,990   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
2025-08-31T09:30:43,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30
2025-08-31T09:30:43,995   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
2025-08-31T09:30:43,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21
2025-08-31T09:30:43,999   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
2025-08-31T09:30:44,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27
2025-08-31T09:30:44,004   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
2025-08-31T09:30:44,007   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3
2025-08-31T09:30:44,008   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
2025-08-31T09:30:44,011   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42
2025-08-31T09:30:44,012   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
2025-08-31T09:30:44,015   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17
2025-08-31T09:30:44,016   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
2025-08-31T09:30:44,020   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC
2025-08-31T09:30:44,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH
2025-08-31T09:30:44,023   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
2025-08-31T09:30:44,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl
2025-08-31T09:30:44,027   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
2025-08-31T09:30:44,030   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02
2025-08-31T09:30:44,031   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
2025-08-31T09:30:44,033   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp
2025-08-31T09:30:44,035   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
2025-08-31T09:30:44,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o
2025-08-31T09:30:44,039   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
2025-08-31T09:30:44,041   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2
2025-08-31T09:30:44,042   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
2025-08-31T09:30:44,045   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05
2025-08-31T09:30:44,046   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
2025-08-31T09:30:44,049   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08
2025-08-31T09:30:44,051   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
2025-08-31T09:30:44,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18
2025-08-31T09:30:44,055   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
2025-08-31T09:30:44,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h
2025-08-31T09:30:44,059   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
2025-08-31T09:30:44,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts
2025-08-31T09:30:44,064   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
2025-08-31T09:30:44,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06
2025-08-31T09:30:44,067   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
2025-08-31T09:30:44,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2
2025-08-31T09:30:44,071   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
2025-08-31T09:30:44,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts
2025-08-31T09:30:44,075   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
2025-08-31T09:30:44,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5
2025-08-31T09:30:44,079   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
2025-08-31T09:30:44,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15
2025-08-31T09:30:44,083   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
2025-08-31T09:30:44,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts
2025-08-31T09:30:44,087   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
2025-08-31T09:30:44,090   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts
2025-08-31T09:30:44,091   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
2025-08-31T09:30:44,094   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc
2025-08-31T09:30:44,095   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
2025-08-31T09:30:44,098   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf
2025-08-31T09:30:44,099   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
2025-08-31T09:30:44,102   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts
2025-08-31T09:30:44,103   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
2025-08-31T09:30:44,106   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco
2025-08-31T09:30:44,107   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
2025-08-31T09:30:44,110   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4
2025-08-31T09:30:44,112   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
2025-08-31T09:30:44,114   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14
2025-08-31T09:30:44,115   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
2025-08-31T09:30:44,118   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh
2025-08-31T09:30:44,119   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
2025-08-31T09:30:44,122   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13
2025-08-31T09:30:44,123   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
2025-08-31T09:30:44,126   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2
2025-08-31T09:30:44,127   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
2025-08-31T09:30:44,130   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09
2025-08-31T09:30:44,131   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
2025-08-31T09:30:44,134   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf
2025-08-31T09:30:44,135   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
2025-08-31T09:30:44,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2
2025-08-31T09:30:44,139   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
2025-08-31T09:30:44,141   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2
2025-08-31T09:30:44,143   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
2025-08-31T09:30:44,145   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07
2025-08-31T09:30:44,147   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
2025-08-31T09:30:44,149   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8
2025-08-31T09:30:44,151   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
2025-08-31T09:30:44,153   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts
2025-08-31T09:30:44,154   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
2025-08-31T09:30:44,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10
2025-08-31T09:30:44,159   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
2025-08-31T09:30:44,161   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts
2025-08-31T09:30:44,163   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
2025-08-31T09:30:44,165   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts
2025-08-31T09:30:44,166   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
2025-08-31T09:30:44,169   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1
2025-08-31T09:30:44,170   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
2025-08-31T09:30:44,173   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts
2025-08-31T09:30:44,174   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
2025-08-31T09:30:44,177   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2
2025-08-31T09:30:44,178   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
2025-08-31T09:30:44,181   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl
2025-08-31T09:30:44,182   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
2025-08-31T09:30:44,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f
2025-08-31T09:30:44,186   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
2025-08-31T09:30:44,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19
2025-08-31T09:30:44,190   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
2025-08-31T09:30:44,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts
2025-08-31T09:30:44,194   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
2025-08-31T09:30:44,196   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03
2025-08-31T09:30:44,197   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
2025-08-31T09:30:44,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts
2025-08-31T09:30:44,201   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
2025-08-31T09:30:44,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3
2025-08-31T09:30:44,205   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
2025-08-31T09:30:44,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16
2025-08-31T09:30:44,209   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
2025-08-31T09:30:44,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3
2025-08-31T09:30:44,213   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
2025-08-31T09:30:44,215   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12
2025-08-31T09:30:44,217   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
2025-08-31T09:30:44,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6
2025-08-31T09:30:44,220   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
2025-08-31T09:30:44,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1
2025-08-31T09:30:44,225   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
2025-08-31T09:30:44,228   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S
2025-08-31T09:30:44,229   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
2025-08-31T09:30:44,232   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01
2025-08-31T09:30:44,233   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
2025-08-31T09:30:44,236   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O
2025-08-31T09:30:44,237   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
2025-08-31T09:30:44,240   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04
2025-08-31T09:30:44,241   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
2025-08-31T09:30:44,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20
2025-08-31T09:30:44,245   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
2025-08-31T09:30:44,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts
2025-08-31T09:30:44,249   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
2025-08-31T09:30:44,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7
2025-08-31T09:30:44,254   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
2025-08-31T09:30:44,257   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H
2025-08-31T09:30:44,259   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
2025-08-31T09:30:44,262   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-
2025-08-31T09:30:44,263   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-
2025-08-31T09:30:44,266   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS
2025-08-31T09:30:44,267   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
2025-08-31T09:30:44,270   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3
2025-08-31T09:30:44,271   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
2025-08-31T09:30:44,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-
2025-08-31T09:30:44,275   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-
2025-08-31T09:30:44,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4
2025-08-31T09:30:44,279   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
2025-08-31T09:30:44,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2
2025-08-31T09:30:44,283   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
2025-08-31T09:30:44,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22
2025-08-31T09:30:44,287   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
2025-08-31T09:30:44,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5
2025-08-31T09:30:44,290   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
2025-08-31T09:30:44,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh
2025-08-31T09:30:44,294   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
2025-08-31T09:30:44,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2
2025-08-31T09:30:44,298   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
2025-08-31T09:30:44,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH
2025-08-31T09:30:44,302   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
2025-08-31T09:30:44,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp
2025-08-31T09:30:44,306   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
2025-08-31T09:30:44,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co
2025-08-31T09:30:44,310   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
2025-08-31T09:30:44,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts
2025-08-31T09:30:44,314   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
2025-08-31T09:30:44,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts
2025-08-31T09:30:44,318   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
2025-08-31T09:30:44,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f
2025-08-31T09:30:44,322   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
2025-08-31T09:30:44,325   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O
2025-08-31T09:30:44,326   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
2025-08-31T09:30:44,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2
2025-08-31T09:30:44,330   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
2025-08-31T09:30:44,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl
2025-08-31T09:30:44,334   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
2025-08-31T09:30:44,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts
2025-08-31T09:30:44,338   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
2025-08-31T09:30:44,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots
2025-08-31T09:30:44,342   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
2025-08-31T09:30:44,345   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn
2025-08-31T09:30:44,346   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
2025-08-31T09:30:44,349   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11
2025-08-31T09:30:44,351   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
2025-08-31T09:30:44,353   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21
2025-08-31T09:30:44,355   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
2025-08-31T09:30:44,357   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17
2025-08-31T09:30:44,359   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
2025-08-31T09:30:44,361   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-
2025-08-31T09:30:44,362   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-
2025-08-31T09:30:44,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4
2025-08-31T09:30:44,369   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad
2025-08-31T09:30:44,371   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
2025-08-31T09:30:44,374   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat
2025-08-31T09:30:44,375   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
2025-08-31T09:30:44,378   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb
2025-08-31T09:30:44,379   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
2025-08-31T09:30:44,382   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah
2025-08-31T09:30:44,383   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
2025-08-31T09:30:44,386   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay
2025-08-31T09:30:44,387   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
2025-08-31T09:30:44,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad
2025-08-31T09:30:44,392   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
2025-08-31T09:30:44,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf
2025-08-31T09:30:44,396   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
2025-08-31T09:30:44,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav
2025-08-31T09:30:44,400   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
2025-08-31T09:30:44,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi
2025-08-31T09:30:44,404   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
2025-08-31T09:30:44,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai
2025-08-31T09:30:44,409   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
2025-08-31T09:30:44,412   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw
2025-08-31T09:30:44,413   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
2025-08-31T09:30:44,416   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab
2025-08-31T09:30:44,417   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
2025-08-31T09:30:44,420   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak
2025-08-31T09:30:44,421   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
2025-08-31T09:30:44,424   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae
2025-08-31T09:30:44,425   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
2025-08-31T09:30:44,428   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar
2025-08-31T09:30:44,429   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
2025-08-31T09:30:44,432   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci
2025-08-31T09:30:44,433   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
2025-08-31T09:30:44,436   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai
2025-08-31T09:30:44,437   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
2025-08-31T09:30:44,440   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc
2025-08-31T09:30:44,441   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
2025-08-31T09:30:44,444   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab
2025-08-31T09:30:44,445   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
2025-08-31T09:30:44,448   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag
2025-08-31T09:30:44,450   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
2025-08-31T09:30:44,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag
2025-08-31T09:30:44,454   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
2025-08-31T09:30:44,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad
2025-08-31T09:30:44,458   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
2025-08-31T09:30:44,461   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar
2025-08-31T09:30:44,462   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
2025-08-31T09:30:44,465   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao
2025-08-31T09:30:44,466   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
2025-08-31T09:30:44,469   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf
2025-08-31T09:30:44,470   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
2025-08-31T09:30:44,473   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap
2025-08-31T09:30:44,474   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
2025-08-31T09:30:44,477   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar
2025-08-31T09:30:44,478   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
2025-08-31T09:30:44,481   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx
2025-08-31T09:30:44,482   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
2025-08-31T09:30:44,485   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj
2025-08-31T09:30:44,486   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
2025-08-31T09:30:44,491   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag
2025-08-31T09:30:44,492   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
2025-08-31T09:30:44,495   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah
2025-08-31T09:30:44,709   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
2025-08-31T09:30:44,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao
2025-08-31T09:30:44,715   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
2025-08-31T09:30:44,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap
2025-08-31T09:30:44,721   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
2025-08-31T09:30:44,725   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau
2025-08-31T09:30:44,727   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
2025-08-31T09:30:44,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf
2025-08-31T09:30:44,733   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
2025-08-31T09:30:44,736   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad
2025-08-31T09:30:44,737   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
2025-08-31T09:30:44,740   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah
2025-08-31T09:30:44,741   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
2025-08-31T09:30:44,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab
2025-08-31T09:30:44,745   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
2025-08-31T09:30:44,747   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab
2025-08-31T09:30:44,749   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
2025-08-31T09:30:44,751   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat
2025-08-31T09:30:44,753   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
2025-08-31T09:30:44,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq
2025-08-31T09:30:44,758   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
2025-08-31T09:30:44,761   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj
2025-08-31T09:30:44,762   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
2025-08-31T09:30:44,765   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq
2025-08-31T09:30:44,766   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
2025-08-31T09:30:44,770   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak
2025-08-31T09:30:44,771   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
2025-08-31T09:30:44,774   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae
2025-08-31T09:30:44,776   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
2025-08-31T09:30:44,779   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm
2025-08-31T09:30:44,780   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
2025-08-31T09:30:44,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf
2025-08-31T09:30:44,785   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
2025-08-31T09:30:44,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae
2025-08-31T09:30:44,789   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
2025-08-31T09:30:44,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag
2025-08-31T09:30:44,793   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
2025-08-31T09:30:44,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac
2025-08-31T09:30:44,797   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
2025-08-31T09:30:44,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai
2025-08-31T09:30:44,801   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
2025-08-31T09:30:44,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah
2025-08-31T09:30:44,805   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
2025-08-31T09:30:44,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq
2025-08-31T09:30:44,809   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
2025-08-31T09:30:44,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv
2025-08-31T09:30:44,813   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
2025-08-31T09:30:44,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau
2025-08-31T09:30:44,817   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
2025-08-31T09:30:44,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf
2025-08-31T09:30:44,821   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
2025-08-31T09:30:44,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac
2025-08-31T09:30:44,826   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
2025-08-31T09:30:44,828   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah
2025-08-31T09:30:44,830   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
2025-08-31T09:30:44,833   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab
2025-08-31T09:30:44,834   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
2025-08-31T09:30:44,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad
2025-08-31T09:30:44,838   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
2025-08-31T09:30:44,841   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal
2025-08-31T09:30:44,842   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
2025-08-31T09:30:44,845   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab
2025-08-31T09:30:44,846   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
2025-08-31T09:30:44,849   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan
2025-08-31T09:30:44,850   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
2025-08-31T09:30:44,853   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae
2025-08-31T09:30:44,854   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
2025-08-31T09:30:44,857   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah
2025-08-31T09:30:44,858   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
2025-08-31T09:30:44,861   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag
2025-08-31T09:30:44,862   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
2025-08-31T09:30:44,865   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby
2025-08-31T09:30:44,866   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
2025-08-31T09:30:44,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap
2025-08-31T09:30:44,871   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
2025-08-31T09:30:44,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav
2025-08-31T09:30:44,875   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
2025-08-31T09:30:44,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag
2025-08-31T09:30:44,879   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
2025-08-31T09:30:44,882   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab
2025-08-31T09:30:44,883   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
2025-08-31T09:30:44,886   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal
2025-08-31T09:30:44,887   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
2025-08-31T09:30:44,890   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak
2025-08-31T09:30:44,891   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
2025-08-31T09:30:44,894   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz
2025-08-31T09:30:44,895   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
2025-08-31T09:30:44,898   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf
2025-08-31T09:30:44,899   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
2025-08-31T09:30:44,902   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal
2025-08-31T09:30:44,904   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
2025-08-31T09:30:44,906   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad
2025-08-31T09:30:44,908   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
2025-08-31T09:30:44,911   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj
2025-08-31T09:30:44,912   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
2025-08-31T09:30:44,915   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas
2025-08-31T09:30:44,916   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
2025-08-31T09:30:44,919   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag
2025-08-31T09:30:44,920   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
2025-08-31T09:30:44,923   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan
2025-08-31T09:30:44,924   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
2025-08-31T09:30:44,927   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav
2025-08-31T09:30:44,928   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
2025-08-31T09:30:44,931   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar
2025-08-31T09:30:44,932   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
2025-08-31T09:30:44,935   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah
2025-08-31T09:30:44,936   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
2025-08-31T09:30:44,939   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak
2025-08-31T09:30:44,940   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
2025-08-31T09:30:44,943   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq
2025-08-31T09:30:44,944   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
2025-08-31T09:30:44,947   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo
2025-08-31T09:30:44,948   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
2025-08-31T09:30:44,951   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal
2025-08-31T09:30:44,952   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
2025-08-31T09:30:44,955   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam
2025-08-31T09:30:44,956   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
2025-08-31T09:30:44,959   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad
2025-08-31T09:30:44,960   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
2025-08-31T09:30:44,963   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan
2025-08-31T09:30:44,964   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
2025-08-31T09:30:44,967   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac
2025-08-31T09:30:44,968   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
2025-08-31T09:30:44,971   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae
2025-08-31T09:30:44,972   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
2025-08-31T09:30:44,975   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac
2025-08-31T09:30:44,976   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
2025-08-31T09:30:44,979   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag
2025-08-31T09:30:44,980   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
2025-08-31T09:30:44,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao
2025-08-31T09:30:44,984   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
2025-08-31T09:30:44,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal
2025-08-31T09:30:44,988   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
2025-08-31T09:30:44,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah
2025-08-31T09:30:44,992   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
2025-08-31T09:30:44,995   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak
2025-08-31T09:30:44,996   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
2025-08-31T09:30:44,999   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan
2025-08-31T09:30:45,000   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
2025-08-31T09:30:45,004   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20
2025-08-31T09:30:45,005   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49
2025-08-31T09:30:45,007   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
2025-08-31T09:30:45,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40
2025-08-31T09:30:45,011   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
2025-08-31T09:30:45,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51
2025-08-31T09:30:45,015   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
2025-08-31T09:30:45,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40
2025-08-31T09:30:45,019   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
2025-08-31T09:30:45,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25
2025-08-31T09:30:45,023   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
2025-08-31T09:30:45,025   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45
2025-08-31T09:30:45,026   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
2025-08-31T09:30:45,029   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44
2025-08-31T09:30:45,030   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
2025-08-31T09:30:45,038   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57
2025-08-31T09:30:45,040   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
2025-08-31T09:30:45,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48
2025-08-31T09:30:45,044   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
2025-08-31T09:30:45,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22
2025-08-31T09:30:45,048   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
2025-08-31T09:30:45,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47
2025-08-31T09:30:45,052   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
2025-08-31T09:30:45,055   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26
2025-08-31T09:30:45,057   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
2025-08-31T09:30:45,060   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43
2025-08-31T09:30:45,061   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
2025-08-31T09:30:45,064   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52
2025-08-31T09:30:45,065   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
2025-08-31T09:30:45,068   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25
2025-08-31T09:30:45,069   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
2025-08-31T09:30:45,072   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20
2025-08-31T09:30:45,073   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
2025-08-31T09:30:45,076   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29
2025-08-31T09:30:45,077   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
2025-08-31T09:30:45,080   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21
2025-08-31T09:30:45,081   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
2025-08-31T09:30:45,084   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47
2025-08-31T09:30:45,085   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
2025-08-31T09:30:45,088   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56
2025-08-31T09:30:45,089   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
2025-08-31T09:30:45,092   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51
2025-08-31T09:30:45,093   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
2025-08-31T09:30:45,096   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49
2025-08-31T09:30:45,097   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
2025-08-31T09:30:45,100   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20
2025-08-31T09:30:45,101   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
2025-08-31T09:30:45,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44
2025-08-31T09:30:45,105   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
2025-08-31T09:30:45,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52
2025-08-31T09:30:45,109   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
2025-08-31T09:30:45,111   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26
2025-08-31T09:30:45,113   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
2025-08-31T09:30:45,115   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46
2025-08-31T09:30:45,117   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
2025-08-31T09:30:45,119   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48
2025-08-31T09:30:45,121   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
2025-08-31T09:30:45,123   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43
2025-08-31T09:30:45,125   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
2025-08-31T09:30:45,127   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46
2025-08-31T09:30:45,128   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
2025-08-31T09:30:45,131   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56
2025-08-31T09:30:45,132   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
2025-08-31T09:30:45,135   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60
2025-08-31T09:30:45,136   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
2025-08-31T09:30:45,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28
2025-08-31T09:30:45,140   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
2025-08-31T09:30:45,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60
2025-08-31T09:30:45,144   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
2025-08-31T09:30:45,147   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45
2025-08-31T09:30:45,148   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
2025-08-31T09:30:45,151   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22
2025-08-31T09:30:45,152   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
2025-08-31T09:30:45,155   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA
2025-08-31T09:30:45,157   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o
2025-08-31T09:30:45,158   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
2025-08-31T09:30:45,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12
2025-08-31T09:30:45,163   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
2025-08-31T09:30:45,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15
2025-08-31T09:30:45,167   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
2025-08-31T09:30:45,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n
2025-08-31T09:30:45,171   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
2025-08-31T09:30:45,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f
2025-08-31T09:30:45,175   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
2025-08-31T09:30:45,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14
2025-08-31T09:30:45,179   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
2025-08-31T09:30:45,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-
2025-08-31T09:30:45,183   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-
2025-08-31T09:30:45,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl
2025-08-31T09:30:45,187   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
2025-08-31T09:30:45,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p
2025-08-31T09:30:45,190   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
2025-08-31T09:30:45,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n
2025-08-31T09:30:45,194   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
2025-08-31T09:30:45,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20
2025-08-31T09:30:45,198   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
2025-08-31T09:30:45,201   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n
2025-08-31T09:30:45,202   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
2025-08-31T09:30:45,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n
2025-08-31T09:30:45,206   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
2025-08-31T09:30:45,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c
2025-08-31T09:30:45,209   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
2025-08-31T09:30:45,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19
2025-08-31T09:30:45,213   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
2025-08-31T09:30:45,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10
2025-08-31T09:30:45,217   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
2025-08-31T09:30:45,220   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21
2025-08-31T09:30:45,221   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
2025-08-31T09:30:45,225   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13
2025-08-31T09:30:45,226   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
2025-08-31T09:30:45,229   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22
2025-08-31T09:30:45,230   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
2025-08-31T09:30:45,233   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11
2025-08-31T09:30:45,234   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
2025-08-31T09:30:45,237   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n
2025-08-31T09:30:45,238   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
2025-08-31T09:30:45,241   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8
2025-08-31T09:30:45,242   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
2025-08-31T09:30:45,244   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si
2025-08-31T09:30:45,246   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
2025-08-31T09:30:45,248   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-
2025-08-31T09:30:45,250   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-
2025-08-31T09:30:45,252   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9
2025-08-31T09:30:45,254   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
2025-08-31T09:30:45,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n
2025-08-31T09:30:45,258   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
2025-08-31T09:30:45,261   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-
2025-08-31T09:30:45,262   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-
2025-08-31T09:30:45,265   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16
2025-08-31T09:30:45,266   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
2025-08-31T09:30:45,269   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n
2025-08-31T09:30:45,270   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
2025-08-31T09:30:45,273   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n
2025-08-31T09:30:45,274   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
2025-08-31T09:30:45,277   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-
2025-08-31T09:30:45,278   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-
2025-08-31T09:30:45,281   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-
2025-08-31T09:30:45,282   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-
2025-08-31T09:30:45,285   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n
2025-08-31T09:30:45,286   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
2025-08-31T09:30:45,289   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17
2025-08-31T09:30:45,290   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
2025-08-31T09:30:45,293   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n
2025-08-31T09:30:45,294   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
2025-08-31T09:30:45,297   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n
2025-08-31T09:30:45,298   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
2025-08-31T09:30:45,301   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-
2025-08-31T09:30:45,302   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-
2025-08-31T09:30:45,305   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25
2025-08-31T09:30:45,306   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
2025-08-31T09:30:45,309   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n
2025-08-31T09:30:45,310   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
2025-08-31T09:30:45,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n
2025-08-31T09:30:45,314   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
2025-08-31T09:30:45,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n
2025-08-31T09:30:45,318   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
2025-08-31T09:30:45,321   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24
2025-08-31T09:30:45,322   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
2025-08-31T09:30:45,324   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n
2025-08-31T09:30:45,326   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
2025-08-31T09:30:45,328   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s
2025-08-31T09:30:45,329   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
2025-08-31T09:30:45,332   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n
2025-08-31T09:30:45,333   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
2025-08-31T09:30:45,336   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n
2025-08-31T09:30:45,337   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
2025-08-31T09:30:45,340   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18
2025-08-31T09:30:45,342   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
2025-08-31T09:30:45,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-
2025-08-31T09:30:45,346   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-
2025-08-31T09:30:45,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n
2025-08-31T09:30:45,349   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
2025-08-31T09:30:45,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23
2025-08-31T09:30:45,353   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
2025-08-31T09:30:45,358   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59
2025-08-31T09:30:45,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH
2025-08-31T09:30:45,361   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
2025-08-31T09:30:45,364   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB
2025-08-31T09:30:45,365   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
2025-08-31T09:30:45,368   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB
2025-08-31T09:30:45,369   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
2025-08-31T09:30:45,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB
2025-08-31T09:30:45,373   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
2025-08-31T09:30:45,376   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3
2025-08-31T09:30:45,377   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
2025-08-31T09:30:45,380   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS
2025-08-31T09:30:45,381   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
2025-08-31T09:30:45,384   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA
2025-08-31T09:30:45,385   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
2025-08-31T09:30:45,388   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr
2025-08-31T09:30:45,389   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
2025-08-31T09:30:45,392   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA
2025-08-31T09:30:45,393   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
2025-08-31T09:30:45,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe
2025-08-31T09:30:45,397   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
2025-08-31T09:30:45,399   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB
2025-08-31T09:30:45,401   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
2025-08-31T09:30:45,403   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH
2025-08-31T09:30:45,405   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
2025-08-31T09:30:45,407   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH
2025-08-31T09:30:45,409   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
2025-08-31T09:30:45,411   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B
2025-08-31T09:30:45,413   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
2025-08-31T09:30:45,415   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3
2025-08-31T09:30:45,416   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
2025-08-31T09:30:45,419   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl
2025-08-31T09:30:45,420   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
2025-08-31T09:30:45,423   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe
2025-08-31T09:30:45,424   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
2025-08-31T09:30:45,427   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI
2025-08-31T09:30:45,428   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
2025-08-31T09:30:45,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS
2025-08-31T09:30:45,432   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
2025-08-31T09:30:45,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2
2025-08-31T09:30:45,435   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
2025-08-31T09:30:45,438   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B
2025-08-31T09:30:45,439   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
2025-08-31T09:30:45,442   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2
2025-08-31T09:30:45,443   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
2025-08-31T09:30:45,446   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB
2025-08-31T09:30:45,447   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
2025-08-31T09:30:45,450   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B
2025-08-31T09:30:45,451   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
2025-08-31T09:30:45,454   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA
2025-08-31T09:30:45,455   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
2025-08-31T09:30:45,458   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB
2025-08-31T09:30:45,460   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
2025-08-31T09:30:45,462   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB
2025-08-31T09:30:45,463   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
2025-08-31T09:30:45,466   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl
2025-08-31T09:30:45,467   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
2025-08-31T09:30:45,470   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr
2025-08-31T09:30:45,471   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
2025-08-31T09:30:45,474   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH
2025-08-31T09:30:45,475   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
2025-08-31T09:30:45,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA
2025-08-31T09:30:45,479   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
2025-08-31T09:30:45,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr
2025-08-31T09:30:45,483   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
2025-08-31T09:30:45,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2
2025-08-31T09:30:45,487   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
2025-08-31T09:30:45,489   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB
2025-08-31T09:30:45,491   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
2025-08-31T09:30:45,493   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A
2025-08-31T09:30:45,494   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
2025-08-31T09:30:45,497   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr
2025-08-31T09:30:45,498   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
2025-08-31T09:30:45,501   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH
2025-08-31T09:30:45,502   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
2025-08-31T09:30:45,505   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr
2025-08-31T09:30:45,506   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
2025-08-31T09:30:45,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB
2025-08-31T09:30:45,510   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
2025-08-31T09:30:45,512   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB
2025-08-31T09:30:45,514   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
2025-08-31T09:30:45,516   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI
2025-08-31T09:30:45,517   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
2025-08-31T09:30:45,520   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI
2025-08-31T09:30:45,521   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
2025-08-31T09:30:45,524   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA
2025-08-31T09:30:45,525   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
2025-08-31T09:30:45,528   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3
2025-08-31T09:30:45,529   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
2025-08-31T09:30:45,532   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS
2025-08-31T09:30:45,533   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
2025-08-31T09:30:45,536   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH
2025-08-31T09:30:45,537   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
2025-08-31T09:30:45,540   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl
2025-08-31T09:30:45,541   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
2025-08-31T09:30:45,544   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH
2025-08-31T09:30:45,545   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
2025-08-31T09:30:45,548   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB
2025-08-31T09:30:45,549   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
2025-08-31T09:30:45,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe
2025-08-31T09:30:45,553   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
2025-08-31T09:30:45,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB
2025-08-31T09:30:45,558   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
2025-08-31T09:30:45,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr
2025-08-31T09:30:45,562   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
2025-08-31T09:30:45,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr
2025-08-31T09:30:45,566   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
2025-08-31T09:30:45,569   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB
2025-08-31T09:30:45,570   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
2025-08-31T09:30:45,573   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI
2025-08-31T09:30:45,574   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
2025-08-31T09:30:45,577   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB
2025-08-31T09:30:45,578   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
2025-08-31T09:30:45,581   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS
2025-08-31T09:30:45,582   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
2025-08-31T09:30:45,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr
2025-08-31T09:30:45,586   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
2025-08-31T09:30:45,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS
2025-08-31T09:30:45,590   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
2025-08-31T09:30:45,592   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB
2025-08-31T09:30:45,594   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
2025-08-31T09:30:45,596   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr
2025-08-31T09:30:45,598   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
2025-08-31T09:30:45,601   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI
2025-08-31T09:30:45,602   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
2025-08-31T09:30:45,604   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr
2025-08-31T09:30:45,605   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
2025-08-31T09:30:45,608   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB
2025-08-31T09:30:45,609   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
2025-08-31T09:30:45,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3
2025-08-31T09:30:45,612   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
2025-08-31T09:30:45,615   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA
2025-08-31T09:30:45,616   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
2025-08-31T09:30:45,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB
2025-08-31T09:30:45,620   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
2025-08-31T09:30:45,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI
2025-08-31T09:30:45,624   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
2025-08-31T09:30:45,626   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH
2025-08-31T09:30:45,627   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
2025-08-31T09:30:45,630   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB
2025-08-31T09:30:45,631   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
2025-08-31T09:30:45,634   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr
2025-08-31T09:30:45,635   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
2025-08-31T09:30:45,637   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA
2025-08-31T09:30:45,639   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
2025-08-31T09:30:45,641   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe
2025-08-31T09:30:45,643   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
2025-08-31T09:30:45,645   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3
2025-08-31T09:30:45,647   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
2025-08-31T09:30:45,649   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A
2025-08-31T09:30:45,651   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
2025-08-31T09:30:45,654   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2
2025-08-31T09:30:45,655   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
2025-08-31T09:30:45,657   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI
2025-08-31T09:30:45,658   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
2025-08-31T09:30:45,661   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3
2025-08-31T09:30:45,662   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
2025-08-31T09:30:45,665   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB
2025-08-31T09:30:45,666   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
2025-08-31T09:30:45,670   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB
2025-08-31T09:30:45,671   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
2025-08-31T09:30:45,674   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH
2025-08-31T09:30:45,675   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
2025-08-31T09:30:45,678   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH
2025-08-31T09:30:45,679   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
2025-08-31T09:30:45,681   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB
2025-08-31T09:30:45,682   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
2025-08-31T09:30:45,685   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS
2025-08-31T09:30:45,686   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
2025-08-31T09:30:45,689   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3
2025-08-31T09:30:45,691   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
2025-08-31T09:30:45,693   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3
2025-08-31T09:30:45,695   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
2025-08-31T09:30:45,697   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA
2025-08-31T09:30:45,699   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
2025-08-31T09:30:45,702   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr
2025-08-31T09:30:45,703   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
2025-08-31T09:30:45,705   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI
2025-08-31T09:30:45,707   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
2025-08-31T09:30:45,709   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB
2025-08-31T09:30:45,711   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
2025-08-31T09:30:45,713   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl
2025-08-31T09:30:45,715   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
2025-08-31T09:30:45,717   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB
2025-08-31T09:30:45,719   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
2025-08-31T09:30:45,722   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS
2025-08-31T09:30:45,723   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
2025-08-31T09:30:45,726   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA
2025-08-31T09:30:45,727   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
2025-08-31T09:30:45,730   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB
2025-08-31T09:30:45,731   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
2025-08-31T09:30:45,734   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA
2025-08-31T09:30:45,735   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
2025-08-31T09:30:45,737   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI
2025-08-31T09:30:45,739   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
2025-08-31T09:30:45,741   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS
2025-08-31T09:30:45,742   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
2025-08-31T09:30:45,745   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH
2025-08-31T09:30:45,746   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
2025-08-31T09:30:45,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI
2025-08-31T09:30:45,750   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
2025-08-31T09:30:45,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH
2025-08-31T09:30:45,753   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
2025-08-31T09:30:45,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A
2025-08-31T09:30:45,757   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
2025-08-31T09:30:45,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB
2025-08-31T09:30:45,761   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
2025-08-31T09:30:45,763   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA
2025-08-31T09:30:45,764   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
2025-08-31T09:30:45,767   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr
2025-08-31T09:30:45,768   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
2025-08-31T09:30:45,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18
2025-08-31T09:30:45,773   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7
2025-08-31T09:30:45,774   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
2025-08-31T09:30:45,777   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o
2025-08-31T09:30:45,778   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
2025-08-31T09:30:45,781   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9
2025-08-31T09:30:45,782   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
2025-08-31T09:30:45,785   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2
2025-08-31T09:30:45,786   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
2025-08-31T09:30:45,789   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9
2025-08-31T09:30:45,790   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
2025-08-31T09:30:45,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4
2025-08-31T09:30:45,794   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
2025-08-31T09:30:45,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2
2025-08-31T09:30:45,798   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
2025-08-31T09:30:45,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o
2025-08-31T09:30:45,802   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
2025-08-31T09:30:45,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5
2025-08-31T09:30:45,805   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
2025-08-31T09:30:45,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4
2025-08-31T09:30:45,809   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
2025-08-31T09:30:45,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o
2025-08-31T09:30:45,813   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
2025-08-31T09:30:45,816   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6
2025-08-31T09:30:45,817   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
2025-08-31T09:30:45,820   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o
2025-08-31T09:30:45,821   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
2025-08-31T09:30:45,824   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o
2025-08-31T09:30:45,825   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
2025-08-31T09:30:45,827   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7
2025-08-31T09:30:45,829   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
2025-08-31T09:30:45,831   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o
2025-08-31T09:30:45,833   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
2025-08-31T09:30:45,835   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6
2025-08-31T09:30:45,836   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
2025-08-31T09:30:45,839   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5
2025-08-31T09:30:45,840   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
2025-08-31T09:30:45,843   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1
2025-08-31T09:30:45,844   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
2025-08-31T09:30:45,847   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o
2025-08-31T09:30:45,848   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
2025-08-31T09:30:45,851   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8
2025-08-31T09:30:45,852   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
2025-08-31T09:30:45,855   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o
2025-08-31T09:30:45,856   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
2025-08-31T09:30:45,859   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1
2025-08-31T09:30:45,860   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
2025-08-31T09:30:45,862   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8
2025-08-31T09:30:45,864   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
2025-08-31T09:30:45,866   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o
2025-08-31T09:30:45,867   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
2025-08-31T09:30:45,870   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3
2025-08-31T09:30:45,872   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
2025-08-31T09:30:45,874   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3
2025-08-31T09:30:45,876   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
2025-08-31T09:30:45,878   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o
2025-08-31T09:30:45,879   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
2025-08-31T09:30:45,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34
2025-08-31T09:30:45,885   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29
2025-08-31T09:30:45,886   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
2025-08-31T09:30:45,889   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28
2025-08-31T09:30:45,890   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
2025-08-31T09:30:45,893   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20
2025-08-31T09:30:45,894   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
2025-08-31T09:30:45,896   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9
2025-08-31T09:30:45,898   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
2025-08-31T09:30:45,900   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33
2025-08-31T09:30:45,901   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
2025-08-31T09:30:45,904   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24
2025-08-31T09:30:45,905   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
2025-08-31T09:30:45,908   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11
2025-08-31T09:30:45,909   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
2025-08-31T09:30:45,912   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15
2025-08-31T09:30:45,913   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
2025-08-31T09:30:45,916   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16
2025-08-31T09:30:45,917   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
2025-08-31T09:30:45,920   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19
2025-08-31T09:30:45,921   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
2025-08-31T09:30:45,924   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32
2025-08-31T09:30:45,926   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
2025-08-31T09:30:45,928   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8
2025-08-31T09:30:45,930   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
2025-08-31T09:30:45,933   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34
2025-08-31T09:30:45,934   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
2025-08-31T09:30:45,937   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7
2025-08-31T09:30:45,938   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
2025-08-31T09:30:45,941   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24
2025-08-31T09:30:45,942   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
2025-08-31T09:30:45,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17
2025-08-31T09:30:45,946   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
2025-08-31T09:30:45,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12
2025-08-31T09:30:45,950   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
2025-08-31T09:30:45,953   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21
2025-08-31T09:30:45,954   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
2025-08-31T09:30:45,957   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25
2025-08-31T09:30:45,958   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
2025-08-31T09:30:45,961   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1
2025-08-31T09:30:45,962   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
2025-08-31T09:30:45,965   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23
2025-08-31T09:30:45,966   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
2025-08-31T09:30:45,969   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13
2025-08-31T09:30:45,970   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
2025-08-31T09:30:45,973   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4
2025-08-31T09:30:45,975   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
2025-08-31T09:30:45,978   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13
2025-08-31T09:30:45,979   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
2025-08-31T09:30:45,982   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33
2025-08-31T09:30:45,983   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
2025-08-31T09:30:45,986   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15
2025-08-31T09:30:45,987   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
2025-08-31T09:30:45,990   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31
2025-08-31T09:30:45,991   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
2025-08-31T09:30:45,994   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3
2025-08-31T09:30:45,995   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
2025-08-31T09:30:45,998   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31
2025-08-31T09:30:45,999   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
2025-08-31T09:30:46,002   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22
2025-08-31T09:30:46,003   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
2025-08-31T09:30:46,006   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30
2025-08-31T09:30:46,007   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
2025-08-31T09:30:46,010   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6
2025-08-31T09:30:46,011   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
2025-08-31T09:30:46,014   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23
2025-08-31T09:30:46,015   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
2025-08-31T09:30:46,018   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10
2025-08-31T09:30:46,019   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
2025-08-31T09:30:46,022   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4
2025-08-31T09:30:46,023   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
2025-08-31T09:30:46,026   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8
2025-08-31T09:30:46,028   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
2025-08-31T09:30:46,031   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14
2025-08-31T09:30:46,032   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
2025-08-31T09:30:46,035   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16
2025-08-31T09:30:46,036   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
2025-08-31T09:30:46,039   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28
2025-08-31T09:30:46,040   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
2025-08-31T09:30:46,043   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18
2025-08-31T09:30:46,044   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
2025-08-31T09:30:46,047   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2
2025-08-31T09:30:46,048   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
2025-08-31T09:30:46,051   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32
2025-08-31T09:30:46,052   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
2025-08-31T09:30:46,054   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20
2025-08-31T09:30:46,056   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
2025-08-31T09:30:46,058   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3
2025-08-31T09:30:46,059   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
2025-08-31T09:30:46,062   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27
2025-08-31T09:30:46,063   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
2025-08-31T09:30:46,066   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11
2025-08-31T09:30:46,067   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
2025-08-31T09:30:46,070   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14
2025-08-31T09:30:46,071   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
2025-08-31T09:30:46,074   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26
2025-08-31T09:30:46,075   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
2025-08-31T09:30:46,078   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26
2025-08-31T09:30:46,079   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
2025-08-31T09:30:46,082   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21
2025-08-31T09:30:46,083   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
2025-08-31T09:30:46,086   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18
2025-08-31T09:30:46,087   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
2025-08-31T09:30:46,089   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5
2025-08-31T09:30:46,091   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
2025-08-31T09:30:46,093   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9
2025-08-31T09:30:46,094   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
2025-08-31T09:30:46,097   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1
2025-08-31T09:30:46,098   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
2025-08-31T09:30:46,101   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7
2025-08-31T09:30:46,102   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
2025-08-31T09:30:46,104   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29
2025-08-31T09:30:46,106   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
2025-08-31T09:30:46,108   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17
2025-08-31T09:30:46,109   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
2025-08-31T09:30:46,112   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12
2025-08-31T09:30:46,113   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
2025-08-31T09:30:46,116   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34
2025-08-31T09:30:46,117   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
2025-08-31T09:30:46,120   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10
2025-08-31T09:30:46,122   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
2025-08-31T09:30:46,124   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27
2025-08-31T09:30:46,125   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
2025-08-31T09:30:46,128   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25
2025-08-31T09:30:46,130   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
2025-08-31T09:30:46,132   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30
2025-08-31T09:30:46,134   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
2025-08-31T09:30:46,137   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13
2025-08-31T09:30:46,139   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2
2025-08-31T09:30:46,140   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
2025-08-31T09:30:46,143   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41
2025-08-31T09:30:46,144   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
2025-08-31T09:30:46,146   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2
2025-08-31T09:30:46,148   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
2025-08-31T09:30:46,150   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip
2025-08-31T09:30:46,152   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
2025-08-31T09:30:46,154   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8
2025-08-31T09:30:46,156   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
2025-08-31T09:30:46,158   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb
2025-08-31T09:30:46,160   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
2025-08-31T09:30:46,162   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36
2025-08-31T09:30:46,163   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
2025-08-31T09:30:46,166   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen
2025-08-31T09:30:46,167   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
2025-08-31T09:30:46,170   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35
2025-08-31T09:30:46,171   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
2025-08-31T09:30:46,174   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene
2025-08-31T09:30:46,175   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
2025-08-31T09:30:46,178   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl
2025-08-31T09:30:46,179   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
2025-08-31T09:30:46,182   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add
2025-08-31T09:30:46,183   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
2025-08-31T09:30:46,185   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3
2025-08-31T09:30:46,187   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
2025-08-31T09:30:46,189   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be
2025-08-31T09:30:46,190   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
2025-08-31T09:30:46,193   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1
2025-08-31T09:30:46,194   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
2025-08-31T09:30:46,197   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen
2025-08-31T09:30:46,198   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
2025-08-31T09:30:46,200   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36
2025-08-31T09:30:46,202   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
2025-08-31T09:30:46,204   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add
2025-08-31T09:30:46,205   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
2025-08-31T09:30:46,208   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2
2025-08-31T09:30:46,209   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
2025-08-31T09:30:46,212   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4
2025-08-31T09:30:46,213   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
2025-08-31T09:30:46,216   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2
2025-08-31T09:30:46,217   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
2025-08-31T09:30:46,219   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1
2025-08-31T09:30:46,221   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
2025-08-31T09:30:46,223   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne
2025-08-31T09:30:46,224   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
2025-08-31T09:30:46,227   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4
2025-08-31T09:30:46,228   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
2025-08-31T09:30:46,231   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6
2025-08-31T09:30:46,232   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
2025-08-31T09:30:46,235   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL
2025-08-31T09:30:46,236   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
2025-08-31T09:30:46,238   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage
2025-08-31T09:30:46,240   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
2025-08-31T09:30:46,242   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2
2025-08-31T09:30:46,243   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
2025-08-31T09:30:46,246   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35
2025-08-31T09:30:46,247   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
2025-08-31T09:30:46,250   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6
2025-08-31T09:30:46,251   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
2025-08-31T09:30:46,254   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26
2025-08-31T09:30:46,256   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2
2025-08-31T09:30:46,257   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
2025-08-31T09:30:46,260   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p
2025-08-31T09:30:46,261   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
2025-08-31T09:30:46,264   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p
2025-08-31T09:30:46,265   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
2025-08-31T09:30:46,268   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp
2025-08-31T09:30:46,269   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
2025-08-31T09:30:46,272   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp
2025-08-31T09:30:46,273   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
2025-08-31T09:30:46,276   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6
2025-08-31T09:30:46,277   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
2025-08-31T09:30:46,280   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp
2025-08-31T09:30:46,281   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
2025-08-31T09:30:46,283   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp
2025-08-31T09:30:46,285   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
2025-08-31T09:30:46,287   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s
2025-08-31T09:30:46,288   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
2025-08-31T09:30:46,291   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4
2025-08-31T09:30:46,292   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
2025-08-31T09:30:46,295   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass
2025-08-31T09:30:46,296   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
2025-08-31T09:30:46,298   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6
2025-08-31T09:30:46,299   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
2025-08-31T09:30:46,302   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap
2025-08-31T09:30:46,303   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
2025-08-31T09:30:46,306   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G
2025-08-31T09:30:46,307   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
2025-08-31T09:30:46,310   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly
2025-08-31T09:30:46,311   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
2025-08-31T09:30:46,313   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp
2025-08-31T09:30:46,315   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
2025-08-31T09:30:46,317   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp
2025-08-31T09:30:46,319   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
2025-08-31T09:30:46,322   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp
2025-08-31T09:30:46,323   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
2025-08-31T09:30:46,326   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op
2025-08-31T09:30:46,327   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
2025-08-31T09:30:46,329   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys
2025-08-31T09:30:46,331   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
2025-08-31T09:30:46,333   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp
2025-08-31T09:30:46,334   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
2025-08-31T09:30:46,337   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8
2025-08-31T09:30:46,338   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
2025-08-31T09:30:46,341   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p
2025-08-31T09:30:46,342   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
2025-08-31T09:30:46,344   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol
2025-08-31T09:30:46,346   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
2025-08-31T09:30:46,348   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp
2025-08-31T09:30:46,349   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
2025-08-31T09:30:46,352   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T
2025-08-31T09:30:46,353   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
2025-08-31T09:30:46,356   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p
2025-08-31T09:30:46,357   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
2025-08-31T09:30:46,360   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp
2025-08-31T09:30:46,361   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
2025-08-31T09:30:46,363   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p
2025-08-31T09:30:46,365   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
2025-08-31T09:30:46,367   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p
2025-08-31T09:30:46,369   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
2025-08-31T09:30:46,372   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p
2025-08-31T09:30:46,373   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
2025-08-31T09:30:46,375   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o
2025-08-31T09:30:46,377   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
2025-08-31T09:30:46,379   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4
2025-08-31T09:30:46,380   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
2025-08-31T09:30:46,383   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh
2025-08-31T09:30:46,384   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
2025-08-31T09:30:46,387   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p
2025-08-31T09:30:46,388   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
2025-08-31T09:30:46,391   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s
2025-08-31T09:30:46,392   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
2025-08-31T09:30:46,395   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol
2025-08-31T09:30:46,396   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
2025-08-31T09:30:46,398   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3
2025-08-31T09:30:46,400   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
2025-08-31T09:30:46,402   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp
2025-08-31T09:30:46,403   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
2025-08-31T09:30:46,406   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A
2025-08-31T09:30:46,407   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
2025-08-31T09:30:46,410   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C
2025-08-31T09:30:46,411   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
2025-08-31T09:30:46,414   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6
2025-08-31T09:30:46,415   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
2025-08-31T09:30:46,418   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2
2025-08-31T09:30:46,419   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
2025-08-31T09:30:46,422   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp
2025-08-31T09:30:46,423   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
2025-08-31T09:30:46,426   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2
2025-08-31T09:30:46,427   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
2025-08-31T09:30:46,430   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p
2025-08-31T09:30:46,431   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
2025-08-31T09:30:46,434   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p
2025-08-31T09:30:46,435   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
2025-08-31T09:30:46,437   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl
2025-08-31T09:30:46,439   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
2025-08-31T09:30:46,441   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p
2025-08-31T09:30:46,442   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
2025-08-31T09:30:46,445   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol
2025-08-31T09:30:46,446   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
2025-08-31T09:30:46,449   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp
2025-08-31T09:30:46,450   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
2025-08-31T09:30:46,453   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3
2025-08-31T09:30:46,454   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
2025-08-31T09:30:46,457   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27
2025-08-31T09:30:46,459   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS
2025-08-31T09:30:46,460   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
2025-08-31T09:30:46,463   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1
2025-08-31T09:30:46,464   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
2025-08-31T09:30:46,467   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st
2025-08-31T09:30:46,468   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
2025-08-31T09:30:46,471   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1
2025-08-31T09:30:46,472   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
2025-08-31T09:30:46,475   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans
2025-08-31T09:30:46,476   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
2025-08-31T09:30:46,478   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti
2025-08-31T09:30:46,480   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
2025-08-31T09:30:46,482   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti
2025-08-31T09:30:46,483   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
2025-08-31T09:30:46,486   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2
2025-08-31T09:30:46,487   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
2025-08-31T09:30:46,490   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2
2025-08-31T09:30:46,491   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
2025-08-31T09:30:46,494   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl
2025-08-31T09:30:46,495   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
2025-08-31T09:30:46,498   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis
2025-08-31T09:30:46,499   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
2025-08-31T09:30:46,502   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS
2025-08-31T09:30:46,503   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
2025-08-31T09:30:46,506   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS
2025-08-31T09:30:46,507   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
2025-08-31T09:30:46,509   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl
2025-08-31T09:30:46,511   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
2025-08-31T09:30:46,513   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120
2025-08-31T09:30:46,515   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
2025-08-31T09:30:46,517   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180
2025-08-31T09:30:46,519   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
2025-08-31T09:30:46,521   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans
2025-08-31T09:30:46,523   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
2025-08-31T09:30:46,525   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st
2025-08-31T09:30:46,526   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
2025-08-31T09:30:46,529   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1
2025-08-31T09:30:46,530   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
2025-08-31T09:30:46,533   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2
2025-08-31T09:30:46,534   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
2025-08-31T09:30:46,537   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS
2025-08-31T09:30:46,538   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
2025-08-31T09:30:46,541   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis
2025-08-31T09:30:46,542   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
2025-08-31T09:30:46,545   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn
2025-08-31T09:30:46,546   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
2025-08-31T09:30:46,549   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1
2025-08-31T09:30:46,550   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
2025-08-31T09:30:46,552   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1
2025-08-31T09:30:46,554   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
2025-08-31T09:30:46,556   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0
2025-08-31T09:30:46,558   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
2025-08-31T09:30:46,560   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans
2025-08-31T09:30:46,561   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
2025-08-31T09:30:46,564   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn
2025-08-31T09:30:46,565   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
2025-08-31T09:30:46,568   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl
2025-08-31T09:30:46,570   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
2025-08-31T09:30:46,572   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2
2025-08-31T09:30:46,574   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
2025-08-31T09:30:46,576   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC
2025-08-31T09:30:46,577   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
2025-08-31T09:30:46,580   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl
2025-08-31T09:30:46,581   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
2025-08-31T09:30:46,584   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis
2025-08-31T09:30:46,585   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
2025-08-31T09:30:46,588   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2
2025-08-31T09:30:46,589   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
2025-08-31T09:30:46,591   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0
2025-08-31T09:30:46,592   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
2025-08-31T09:30:46,595   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st
2025-08-31T09:30:46,596   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
2025-08-31T09:30:46,599   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60
2025-08-31T09:30:46,601   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
2025-08-31T09:30:46,603   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2
2025-08-31T09:30:46,605   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
2025-08-31T09:30:46,607   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl
2025-08-31T09:30:46,609   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
2025-08-31T09:30:46,611   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180
2025-08-31T09:30:46,612   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
2025-08-31T09:30:46,617   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51
2025-08-31T09:30:46,619   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2
2025-08-31T09:30:46,620   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
2025-08-31T09:30:46,623   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H
2025-08-31T09:30:46,624   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
2025-08-31T09:30:46,627   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane
2025-08-31T09:30:46,628   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
2025-08-31T09:30:46,631   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO
2025-08-31T09:30:46,632   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
2025-08-31T09:30:46,635   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO
2025-08-31T09:30:46,636   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
2025-08-31T09:30:46,639   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2
2025-08-31T09:30:46,640   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
2025-08-31T09:30:46,643   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne
2025-08-31T09:30:46,644   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
2025-08-31T09:30:46,647   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran
2025-08-31T09:30:46,648   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
2025-08-31T09:30:46,651   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene
2025-08-31T09:30:46,652   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
2025-08-31T09:30:46,655   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane
2025-08-31T09:30:46,657   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
2025-08-31T09:30:46,660   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2
2025-08-31T09:30:46,661   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
2025-08-31T09:30:46,664   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2
2025-08-31T09:30:46,665   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
2025-08-31T09:30:46,668   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene
2025-08-31T09:30:46,669   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
2025-08-31T09:30:46,672   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2
2025-08-31T09:30:46,673   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
2025-08-31T09:30:46,676   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H
2025-08-31T09:30:46,677   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
2025-08-31T09:30:46,680   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2
2025-08-31T09:30:46,681   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
2025-08-31T09:30:46,684   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3
2025-08-31T09:30:46,685   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
2025-08-31T09:30:46,688   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO
2025-08-31T09:30:46,689   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
2025-08-31T09:30:46,692   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol
2025-08-31T09:30:46,693   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
2025-08-31T09:30:46,696   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2
2025-08-31T09:30:46,697   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
2025-08-31T09:30:46,700   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole
2025-08-31T09:30:46,701   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
2025-08-31T09:30:46,704   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3
2025-08-31T09:30:46,705   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
2025-08-31T09:30:46,707   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO
2025-08-31T09:30:46,709   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
2025-08-31T09:30:46,711   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene
2025-08-31T09:30:46,712   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
2025-08-31T09:30:46,715   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene
2025-08-31T09:30:46,716   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
2025-08-31T09:30:46,719   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne
2025-08-31T09:30:46,720   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
2025-08-31T09:30:46,723   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2
2025-08-31T09:30:46,724   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
2025-08-31T09:30:46,727   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2
2025-08-31T09:30:46,728   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
2025-08-31T09:30:46,731   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H
2025-08-31T09:30:46,732   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
2025-08-31T09:30:46,735   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene
2025-08-31T09:30:46,736   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
2025-08-31T09:30:46,739   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2
2025-08-31T09:30:46,741   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
2025-08-31T09:30:46,744   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2
2025-08-31T09:30:46,745   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
2025-08-31T09:30:46,748   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO
2025-08-31T09:30:46,749   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
2025-08-31T09:30:46,752   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO
2025-08-31T09:30:46,753   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
2025-08-31T09:30:46,756   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone
2025-08-31T09:30:46,757   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
2025-08-31T09:30:46,760   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene
2025-08-31T09:30:46,761   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
2025-08-31T09:30:46,764   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2
2025-08-31T09:30:46,765   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
2025-08-31T09:30:46,768   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone
2025-08-31T09:30:46,769   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
2025-08-31T09:30:46,772   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2
2025-08-31T09:30:46,773   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
2025-08-31T09:30:46,776   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine
2025-08-31T09:30:46,777   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
2025-08-31T09:30:46,780   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11
2025-08-31T09:30:46,781   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
2025-08-31T09:30:46,784   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene
2025-08-31T09:30:46,785   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
2025-08-31T09:30:46,788   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione
2025-08-31T09:30:46,789   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
2025-08-31T09:30:46,792   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane
2025-08-31T09:30:46,793   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
2025-08-31T09:30:46,796   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3
2025-08-31T09:30:46,798   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
2025-08-31T09:30:46,800   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2
2025-08-31T09:30:46,802   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
2025-08-31T09:30:46,804   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2
2025-08-31T09:30:46,806   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
2025-08-31T09:30:46,808   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol
2025-08-31T09:30:46,810   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
2025-08-31T09:30:46,812   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane
2025-08-31T09:30:46,814   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
2025-08-31T09:30:46,817   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H
2025-08-31T09:30:46,818   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
2025-08-31T09:30:46,821   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane
2025-08-31T09:30:46,822   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
2025-08-31T09:30:46,825   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol
2025-08-31T09:30:46,826   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
2025-08-31T09:30:46,829   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2
2025-08-31T09:30:46,830   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
2025-08-31T09:30:46,832   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO
2025-08-31T09:30:46,834   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
2025-08-31T09:30:46,836   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne
2025-08-31T09:30:46,838   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
2025-08-31T09:30:46,840   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH
2025-08-31T09:30:46,842   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
2025-08-31T09:30:46,844   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane
2025-08-31T09:30:46,846   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
2025-08-31T09:30:46,848   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol
2025-08-31T09:30:46,850   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
2025-08-31T09:30:46,852   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole
2025-08-31T09:30:46,854   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
2025-08-31T09:30:46,856   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene
2025-08-31T09:30:46,857   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
2025-08-31T09:30:46,860   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3
2025-08-31T09:30:46,861   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
2025-08-31T09:30:46,864   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2
2025-08-31T09:30:46,865   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
2025-08-31T09:30:46,868   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane
2025-08-31T09:30:46,869   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
2025-08-31T09:30:46,872   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine
2025-08-31T09:30:46,873   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
2025-08-31T09:30:46,876   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S
2025-08-31T09:30:46,877   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
2025-08-31T09:30:46,879   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene
2025-08-31T09:30:46,881   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
2025-08-31T09:30:46,883   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole
2025-08-31T09:30:46,884   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
2025-08-31T09:30:46,887   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene
2025-08-31T09:30:46,889   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
2025-08-31T09:30:46,892   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene
2025-08-31T09:30:46,893   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
2025-08-31T09:30:46,895   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene
2025-08-31T09:30:46,896   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
2025-08-31T09:30:46,899   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN
2025-08-31T09:30:46,900   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
2025-08-31T09:30:46,903   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne
2025-08-31T09:30:46,904   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
2025-08-31T09:30:46,907   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane
2025-08-31T09:30:46,908   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
2025-08-31T09:30:46,910   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2
2025-08-31T09:30:46,912   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
2025-08-31T09:30:46,914   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O
2025-08-31T09:30:46,916   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
2025-08-31T09:30:46,918   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane
2025-08-31T09:30:46,919   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
2025-08-31T09:30:46,922   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene
2025-08-31T09:30:46,923   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
2025-08-31T09:30:46,926   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN
2025-08-31T09:30:46,927   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
2025-08-31T09:30:46,930   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene
2025-08-31T09:30:46,931   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
2025-08-31T09:30:46,934   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl
2025-08-31T09:30:46,935   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
2025-08-31T09:30:46,938   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole
2025-08-31T09:30:46,939   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
2025-08-31T09:30:46,942   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2
2025-08-31T09:30:46,943   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
2025-08-31T09:30:46,945   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H
2025-08-31T09:30:46,946   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
2025-08-31T09:30:46,949   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3
2025-08-31T09:30:46,950   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
2025-08-31T09:30:46,952   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O
2025-08-31T09:30:46,954   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
2025-08-31T09:30:46,956   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane
2025-08-31T09:30:46,957   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
2025-08-31T09:30:46,960   creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran
2025-08-31T09:30:46,961   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
2025-08-31T09:30:46,967   creating build/bdist.linux-armv7l/wheel/xcbm/Input_Scripts
2025-08-31T09:30:46,969   copying build/lib/xcbm/Input_Scripts/calc_GMTKN55.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts
2025-08-31T09:30:46,971   copying build/lib/xcbm/Input_Scripts/calc_MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts
2025-08-31T09:30:46,973   copying build/lib/xcbm/MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm
2025-08-31T09:30:46,981   running install_egg_info
2025-08-31T09:30:46,994   Copying xcbm.egg-info to build/bdist.linux-armv7l/wheel/./xcbm-0.1.5-py3.11.egg-info
2025-08-31T09:30:47,024   running install_scripts
2025-08-31T09:30:47,037   creating build/bdist.linux-armv7l/wheel/xcbm-0.1.5.dist-info/WHEEL
2025-08-31T09:30:47,040   creating '/tmp/pip-wheel-82153s6d/.tmp-_waiss8j/xcbm-0.1.5-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it
2025-08-31T09:30:47,044   adding 'xcbm/GMTKN55.py'
2025-08-31T09:30:47,047   adding 'xcbm/MGCDB84.py'
2025-08-31T09:30:47,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz'
2025-08-31T09:30:47,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz'
2025-08-31T09:30:47,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-/struc.xyz'
2025-08-31T09:30:47,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-/struc.xyz'
2025-08-31T09:30:47,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+/struc.xyz'
2025-08-31T09:30:47,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz'
2025-08-31T09:30:47,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz'
2025-08-31T09:30:47,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz'
2025-08-31T09:30:47,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-/struc.xyz'
2025-08-31T09:30:47,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz'
2025-08-31T09:30:47,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz'
2025-08-31T09:30:47,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz'
2025-08-31T09:30:47,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-/struc.xyz'
2025-08-31T09:30:47,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+/struc.xyz'
2025-08-31T09:30:47,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz'
2025-08-31T09:30:47,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz'
2025-08-31T09:30:47,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz'
2025-08-31T09:30:47,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz'
2025-08-31T09:30:47,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz'
2025-08-31T09:30:47,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz'
2025-08-31T09:30:47,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz'
2025-08-31T09:30:47,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz'
2025-08-31T09:30:47,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz'
2025-08-31T09:30:47,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz'
2025-08-31T09:30:47,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz'
2025-08-31T09:30:47,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz'
2025-08-31T09:30:47,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz'
2025-08-31T09:30:47,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz'
2025-08-31T09:30:47,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz'
2025-08-31T09:30:47,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz'
2025-08-31T09:30:47,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz'
2025-08-31T09:30:47,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz'
2025-08-31T09:30:47,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz'
2025-08-31T09:30:47,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz'
2025-08-31T09:30:47,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz'
2025-08-31T09:30:47,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz'
2025-08-31T09:30:47,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz'
2025-08-31T09:30:47,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz'
2025-08-31T09:30:47,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz'
2025-08-31T09:30:47,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz'
2025-08-31T09:30:47,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz'
2025-08-31T09:30:47,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz'
2025-08-31T09:30:47,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz'
2025-08-31T09:30:47,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz'
2025-08-31T09:30:47,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz'
2025-08-31T09:30:47,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz'
2025-08-31T09:30:47,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz'
2025-08-31T09:30:47,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz'
2025-08-31T09:30:47,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz'
2025-08-31T09:30:47,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz'
2025-08-31T09:30:47,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz'
2025-08-31T09:30:47,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz'
2025-08-31T09:30:47,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz'
2025-08-31T09:30:47,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz'
2025-08-31T09:30:47,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz'
2025-08-31T09:30:47,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz'
2025-08-31T09:30:47,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz'
2025-08-31T09:30:47,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz'
2025-08-31T09:30:47,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz'
2025-08-31T09:30:47,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz'
2025-08-31T09:30:47,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz'
2025-08-31T09:30:47,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz'
2025-08-31T09:30:47,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz'
2025-08-31T09:30:47,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz'
2025-08-31T09:30:47,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz'
2025-08-31T09:30:47,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz'
2025-08-31T09:30:47,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz'
2025-08-31T09:30:47,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz'
2025-08-31T09:30:47,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz'
2025-08-31T09:30:47,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz'
2025-08-31T09:30:47,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz'
2025-08-31T09:30:47,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz'
2025-08-31T09:30:47,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz'
2025-08-31T09:30:47,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz'
2025-08-31T09:30:47,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz'
2025-08-31T09:30:47,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz'
2025-08-31T09:30:47,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz'
2025-08-31T09:30:47,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz'
2025-08-31T09:30:47,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz'
2025-08-31T09:30:47,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz'
2025-08-31T09:30:47,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz'
2025-08-31T09:30:47,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz'
2025-08-31T09:30:47,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz'
2025-08-31T09:30:47,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz'
2025-08-31T09:30:47,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz'
2025-08-31T09:30:47,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz'
2025-08-31T09:30:47,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz'
2025-08-31T09:30:47,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz'
2025-08-31T09:30:47,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz'
2025-08-31T09:30:47,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz'
2025-08-31T09:30:47,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz'
2025-08-31T09:30:47,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz'
2025-08-31T09:30:47,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz'
2025-08-31T09:30:47,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz'
2025-08-31T09:30:47,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz'
2025-08-31T09:30:47,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz'
2025-08-31T09:30:47,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz'
2025-08-31T09:30:47,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz'
2025-08-31T09:30:47,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz'
2025-08-31T09:30:47,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz'
2025-08-31T09:30:47,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz'
2025-08-31T09:30:47,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz'
2025-08-31T09:30:47,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz'
2025-08-31T09:30:47,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz'
2025-08-31T09:30:47,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz'
2025-08-31T09:30:47,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz'
2025-08-31T09:30:47,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz'
2025-08-31T09:30:47,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz'
2025-08-31T09:30:47,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz'
2025-08-31T09:30:47,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz'
2025-08-31T09:30:47,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz'
2025-08-31T09:30:47,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz'
2025-08-31T09:30:47,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz'
2025-08-31T09:30:47,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz'
2025-08-31T09:30:47,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz'
2025-08-31T09:30:47,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz'
2025-08-31T09:30:47,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2/struc.xyz'
2025-08-31T09:30:47,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz'
2025-08-31T09:30:47,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz'
2025-08-31T09:30:47,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz'
2025-08-31T09:30:47,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz'
2025-08-31T09:30:47,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz'
2025-08-31T09:30:47,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz'
2025-08-31T09:30:47,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz'
2025-08-31T09:30:47,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz'
2025-08-31T09:30:47,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz'
2025-08-31T09:30:47,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz'
2025-08-31T09:30:47,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz'
2025-08-31T09:30:47,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz'
2025-08-31T09:30:47,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz'
2025-08-31T09:30:47,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz'
2025-08-31T09:30:47,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz'
2025-08-31T09:30:47,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz'
2025-08-31T09:30:47,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz'
2025-08-31T09:30:47,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz'
2025-08-31T09:30:47,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz'
2025-08-31T09:30:47,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz'
2025-08-31T09:30:47,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz'
2025-08-31T09:30:47,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz'
2025-08-31T09:30:47,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz'
2025-08-31T09:30:47,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz'
2025-08-31T09:30:47,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz'
2025-08-31T09:30:47,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz'
2025-08-31T09:30:47,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz'
2025-08-31T09:30:47,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz'
2025-08-31T09:30:47,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz'
2025-08-31T09:30:47,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz'
2025-08-31T09:30:47,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz'
2025-08-31T09:30:47,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz'
2025-08-31T09:30:47,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz'
2025-08-31T09:30:47,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz'
2025-08-31T09:30:47,318   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz'
2025-08-31T09:30:47,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz'
2025-08-31T09:30:47,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz'
2025-08-31T09:30:47,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz'
2025-08-31T09:30:47,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz'
2025-08-31T09:30:47,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz'
2025-08-31T09:30:47,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz'
2025-08-31T09:30:47,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz'
2025-08-31T09:30:47,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz'
2025-08-31T09:30:47,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz'
2025-08-31T09:30:47,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz'
2025-08-31T09:30:47,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz'
2025-08-31T09:30:47,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz'
2025-08-31T09:30:47,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz'
2025-08-31T09:30:47,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz'
2025-08-31T09:30:47,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz'
2025-08-31T09:30:47,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz'
2025-08-31T09:30:47,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz'
2025-08-31T09:30:47,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz'
2025-08-31T09:30:47,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz'
2025-08-31T09:30:47,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz'
2025-08-31T09:30:47,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz'
2025-08-31T09:30:47,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz'
2025-08-31T09:30:47,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz'
2025-08-31T09:30:47,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz'
2025-08-31T09:30:47,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz'
2025-08-31T09:30:47,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz'
2025-08-31T09:30:47,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz'
2025-08-31T09:30:47,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz'
2025-08-31T09:30:47,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz'
2025-08-31T09:30:47,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz'
2025-08-31T09:30:47,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz'
2025-08-31T09:30:47,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz'
2025-08-31T09:30:47,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz'
2025-08-31T09:30:47,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz'
2025-08-31T09:30:47,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz'
2025-08-31T09:30:47,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz'
2025-08-31T09:30:47,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz'
2025-08-31T09:30:47,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz'
2025-08-31T09:30:47,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz'
2025-08-31T09:30:47,394   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz'
2025-08-31T09:30:47,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz'
2025-08-31T09:30:47,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz'
2025-08-31T09:30:47,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz'
2025-08-31T09:30:47,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz'
2025-08-31T09:30:47,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz'
2025-08-31T09:30:47,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz'
2025-08-31T09:30:47,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz'
2025-08-31T09:30:47,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz'
2025-08-31T09:30:47,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz'
2025-08-31T09:30:47,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz'
2025-08-31T09:30:47,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz'
2025-08-31T09:30:47,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz'
2025-08-31T09:30:47,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz'
2025-08-31T09:30:47,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz'
2025-08-31T09:30:47,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz'
2025-08-31T09:30:47,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz'
2025-08-31T09:30:47,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz'
2025-08-31T09:30:47,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz'
2025-08-31T09:30:47,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz'
2025-08-31T09:30:47,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz'
2025-08-31T09:30:47,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz'
2025-08-31T09:30:47,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz'
2025-08-31T09:30:47,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz'
2025-08-31T09:30:47,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz'
2025-08-31T09:30:47,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz'
2025-08-31T09:30:47,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz'
2025-08-31T09:30:47,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz'
2025-08-31T09:30:47,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz'
2025-08-31T09:30:47,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz'
2025-08-31T09:30:47,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz'
2025-08-31T09:30:47,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz'
2025-08-31T09:30:47,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz'
2025-08-31T09:30:47,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz'
2025-08-31T09:30:47,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz'
2025-08-31T09:30:47,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz'
2025-08-31T09:30:47,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz'
2025-08-31T09:30:47,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz'
2025-08-31T09:30:47,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz'
2025-08-31T09:30:47,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz'
2025-08-31T09:30:47,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz'
2025-08-31T09:30:47,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz'
2025-08-31T09:30:47,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz'
2025-08-31T09:30:47,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz'
2025-08-31T09:30:47,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz'
2025-08-31T09:30:47,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz'
2025-08-31T09:30:47,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz'
2025-08-31T09:30:47,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz'
2025-08-31T09:30:47,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz'
2025-08-31T09:30:47,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz'
2025-08-31T09:30:47,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz'
2025-08-31T09:30:47,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz'
2025-08-31T09:30:47,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz'
2025-08-31T09:30:47,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz'
2025-08-31T09:30:47,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz'
2025-08-31T09:30:47,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz'
2025-08-31T09:30:47,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz'
2025-08-31T09:30:47,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz'
2025-08-31T09:30:47,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz'
2025-08-31T09:30:47,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz'
2025-08-31T09:30:47,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz'
2025-08-31T09:30:47,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz'
2025-08-31T09:30:47,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz'
2025-08-31T09:30:47,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz'
2025-08-31T09:30:47,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz'
2025-08-31T09:30:47,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz'
2025-08-31T09:30:47,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz'
2025-08-31T09:30:47,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz'
2025-08-31T09:30:47,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz'
2025-08-31T09:30:47,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz'
2025-08-31T09:30:47,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz'
2025-08-31T09:30:47,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz'
2025-08-31T09:30:47,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz'
2025-08-31T09:30:47,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz'
2025-08-31T09:30:47,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz'
2025-08-31T09:30:47,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz'
2025-08-31T09:30:47,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz'
2025-08-31T09:30:47,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz'
2025-08-31T09:30:47,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz'
2025-08-31T09:30:47,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz'
2025-08-31T09:30:47,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz'
2025-08-31T09:30:47,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz'
2025-08-31T09:30:47,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz'
2025-08-31T09:30:47,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz'
2025-08-31T09:30:47,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz'
2025-08-31T09:30:47,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz'
2025-08-31T09:30:47,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz'
2025-08-31T09:30:47,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz'
2025-08-31T09:30:47,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz'
2025-08-31T09:30:47,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz'
2025-08-31T09:30:47,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz'
2025-08-31T09:30:47,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz'
2025-08-31T09:30:47,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz'
2025-08-31T09:30:47,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz'
2025-08-31T09:30:47,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz'
2025-08-31T09:30:47,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz'
2025-08-31T09:30:47,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz'
2025-08-31T09:30:47,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz'
2025-08-31T09:30:47,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz'
2025-08-31T09:30:47,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz'
2025-08-31T09:30:47,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz'
2025-08-31T09:30:47,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz'
2025-08-31T09:30:47,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz'
2025-08-31T09:30:47,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz'
2025-08-31T09:30:47,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz'
2025-08-31T09:30:47,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz'
2025-08-31T09:30:47,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz'
2025-08-31T09:30:47,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz'
2025-08-31T09:30:47,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz'
2025-08-31T09:30:47,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz'
2025-08-31T09:30:47,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz'
2025-08-31T09:30:47,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz'
2025-08-31T09:30:47,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz'
2025-08-31T09:30:47,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz'
2025-08-31T09:30:47,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz'
2025-08-31T09:30:47,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz'
2025-08-31T09:30:47,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz'
2025-08-31T09:30:47,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz'
2025-08-31T09:30:47,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz'
2025-08-31T09:30:47,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz'
2025-08-31T09:30:47,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz'
2025-08-31T09:30:47,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz'
2025-08-31T09:30:47,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz'
2025-08-31T09:30:47,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz'
2025-08-31T09:30:47,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz'
2025-08-31T09:30:47,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz'
2025-08-31T09:30:47,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz'
2025-08-31T09:30:47,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz'
2025-08-31T09:30:47,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:47,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:47,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz'
2025-08-31T09:30:47,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz'
2025-08-31T09:30:47,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz'
2025-08-31T09:30:47,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz'
2025-08-31T09:30:47,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz'
2025-08-31T09:30:47,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz'
2025-08-31T09:30:47,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz'
2025-08-31T09:30:47,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz'
2025-08-31T09:30:47,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz'
2025-08-31T09:30:47,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz'
2025-08-31T09:30:47,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz'
2025-08-31T09:30:47,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz'
2025-08-31T09:30:47,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz'
2025-08-31T09:30:47,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz'
2025-08-31T09:30:47,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz'
2025-08-31T09:30:47,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz'
2025-08-31T09:30:47,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz'
2025-08-31T09:30:47,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz'
2025-08-31T09:30:47,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz'
2025-08-31T09:30:47,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz'
2025-08-31T09:30:47,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz'
2025-08-31T09:30:47,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz'
2025-08-31T09:30:47,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz'
2025-08-31T09:30:47,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz'
2025-08-31T09:30:47,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz'
2025-08-31T09:30:47,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz'
2025-08-31T09:30:47,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz'
2025-08-31T09:30:47,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz'
2025-08-31T09:30:47,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz'
2025-08-31T09:30:47,680   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz'
2025-08-31T09:30:47,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz'
2025-08-31T09:30:47,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz'
2025-08-31T09:30:47,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz'
2025-08-31T09:30:47,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz'
2025-08-31T09:30:47,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz'
2025-08-31T09:30:47,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz'
2025-08-31T09:30:47,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz'
2025-08-31T09:30:47,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz'
2025-08-31T09:30:47,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz'
2025-08-31T09:30:47,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz'
2025-08-31T09:30:47,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz'
2025-08-31T09:30:47,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz'
2025-08-31T09:30:47,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz'
2025-08-31T09:30:47,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz'
2025-08-31T09:30:47,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz'
2025-08-31T09:30:47,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz'
2025-08-31T09:30:47,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz'
2025-08-31T09:30:47,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz'
2025-08-31T09:30:47,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz'
2025-08-31T09:30:47,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz'
2025-08-31T09:30:47,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz'
2025-08-31T09:30:47,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz'
2025-08-31T09:30:47,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz'
2025-08-31T09:30:47,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz'
2025-08-31T09:30:47,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz'
2025-08-31T09:30:47,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz'
2025-08-31T09:30:47,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz'
2025-08-31T09:30:47,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz'
2025-08-31T09:30:47,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz'
2025-08-31T09:30:47,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz'
2025-08-31T09:30:47,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz'
2025-08-31T09:30:47,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz'
2025-08-31T09:30:47,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz'
2025-08-31T09:30:47,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz'
2025-08-31T09:30:47,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz'
2025-08-31T09:30:47,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz'
2025-08-31T09:30:47,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz'
2025-08-31T09:30:47,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz'
2025-08-31T09:30:47,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz'
2025-08-31T09:30:47,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz'
2025-08-31T09:30:47,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz'
2025-08-31T09:30:47,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz'
2025-08-31T09:30:47,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz'
2025-08-31T09:30:47,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz'
2025-08-31T09:30:47,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz'
2025-08-31T09:30:47,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz'
2025-08-31T09:30:47,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz'
2025-08-31T09:30:47,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz'
2025-08-31T09:30:47,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz'
2025-08-31T09:30:47,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz'
2025-08-31T09:30:47,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz'
2025-08-31T09:30:47,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz'
2025-08-31T09:30:47,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz'
2025-08-31T09:30:47,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz'
2025-08-31T09:30:47,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:47,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:47,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz'
2025-08-31T09:30:47,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz'
2025-08-31T09:30:47,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz'
2025-08-31T09:30:47,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz'
2025-08-31T09:30:47,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz'
2025-08-31T09:30:47,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz'
2025-08-31T09:30:47,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz'
2025-08-31T09:30:47,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz'
2025-08-31T09:30:47,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz'
2025-08-31T09:30:47,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz'
2025-08-31T09:30:47,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz'
2025-08-31T09:30:47,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz'
2025-08-31T09:30:47,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz'
2025-08-31T09:30:47,802   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz'
2025-08-31T09:30:47,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz'
2025-08-31T09:30:47,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz'
2025-08-31T09:30:47,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz'
2025-08-31T09:30:47,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz'
2025-08-31T09:30:47,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz'
2025-08-31T09:30:47,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz'
2025-08-31T09:30:47,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz'
2025-08-31T09:30:47,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz'
2025-08-31T09:30:47,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz'
2025-08-31T09:30:47,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz'
2025-08-31T09:30:47,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz'
2025-08-31T09:30:47,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz'
2025-08-31T09:30:47,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz'
2025-08-31T09:30:47,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz'
2025-08-31T09:30:47,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz'
2025-08-31T09:30:47,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz'
2025-08-31T09:30:47,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz'
2025-08-31T09:30:47,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz'
2025-08-31T09:30:47,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz'
2025-08-31T09:30:47,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz'
2025-08-31T09:30:47,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz'
2025-08-31T09:30:47,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz'
2025-08-31T09:30:47,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz'
2025-08-31T09:30:47,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz'
2025-08-31T09:30:47,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz'
2025-08-31T09:30:47,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz'
2025-08-31T09:30:47,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz'
2025-08-31T09:30:47,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz'
2025-08-31T09:30:47,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz'
2025-08-31T09:30:47,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz'
2025-08-31T09:30:47,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz'
2025-08-31T09:30:47,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz'
2025-08-31T09:30:47,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz'
2025-08-31T09:30:47,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz'
2025-08-31T09:30:47,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz'
2025-08-31T09:30:47,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz'
2025-08-31T09:30:47,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz'
2025-08-31T09:30:47,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz'
2025-08-31T09:30:47,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz'
2025-08-31T09:30:47,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz'
2025-08-31T09:30:47,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz'
2025-08-31T09:30:47,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz'
2025-08-31T09:30:47,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz'
2025-08-31T09:30:47,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz'
2025-08-31T09:30:47,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz'
2025-08-31T09:30:47,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz'
2025-08-31T09:30:47,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz'
2025-08-31T09:30:47,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz'
2025-08-31T09:30:47,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz'
2025-08-31T09:30:47,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz'
2025-08-31T09:30:47,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz'
2025-08-31T09:30:47,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz'
2025-08-31T09:30:47,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz'
2025-08-31T09:30:47,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz'
2025-08-31T09:30:47,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz'
2025-08-31T09:30:47,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz'
2025-08-31T09:30:47,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz'
2025-08-31T09:30:47,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz'
2025-08-31T09:30:47,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz'
2025-08-31T09:30:47,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz'
2025-08-31T09:30:47,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz'
2025-08-31T09:30:47,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz'
2025-08-31T09:30:47,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz'
2025-08-31T09:30:47,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz'
2025-08-31T09:30:47,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz'
2025-08-31T09:30:47,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz'
2025-08-31T09:30:47,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz'
2025-08-31T09:30:47,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz'
2025-08-31T09:30:47,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz'
2025-08-31T09:30:47,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz'
2025-08-31T09:30:47,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz'
2025-08-31T09:30:47,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz'
2025-08-31T09:30:47,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz'
2025-08-31T09:30:47,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz'
2025-08-31T09:30:47,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz'
2025-08-31T09:30:47,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz'
2025-08-31T09:30:47,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz'
2025-08-31T09:30:47,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz'
2025-08-31T09:30:47,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz'
2025-08-31T09:30:47,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz'
2025-08-31T09:30:47,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz'
2025-08-31T09:30:47,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz'
2025-08-31T09:30:47,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz'
2025-08-31T09:30:47,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz'
2025-08-31T09:30:47,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz'
2025-08-31T09:30:47,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz'
2025-08-31T09:30:47,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz'
2025-08-31T09:30:47,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz'
2025-08-31T09:30:47,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz'
2025-08-31T09:30:47,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz'
2025-08-31T09:30:47,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz'
2025-08-31T09:30:47,969   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz'
2025-08-31T09:30:47,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz'
2025-08-31T09:30:47,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz'
2025-08-31T09:30:47,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz'
2025-08-31T09:30:47,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz'
2025-08-31T09:30:47,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz'
2025-08-31T09:30:47,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz'
2025-08-31T09:30:47,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz'
2025-08-31T09:30:47,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz'
2025-08-31T09:30:47,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz'
2025-08-31T09:30:47,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz'
2025-08-31T09:30:47,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz'
2025-08-31T09:30:47,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz'
2025-08-31T09:30:47,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz'
2025-08-31T09:30:47,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz'
2025-08-31T09:30:47,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:47,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz'
2025-08-31T09:30:47,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz'
2025-08-31T09:30:48,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz'
2025-08-31T09:30:48,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz'
2025-08-31T09:30:48,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz'
2025-08-31T09:30:48,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz'
2025-08-31T09:30:48,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz'
2025-08-31T09:30:48,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz'
2025-08-31T09:30:48,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz'
2025-08-31T09:30:48,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz'
2025-08-31T09:30:48,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz'
2025-08-31T09:30:48,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz'
2025-08-31T09:30:48,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz'
2025-08-31T09:30:48,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz'
2025-08-31T09:30:48,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz'
2025-08-31T09:30:48,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz'
2025-08-31T09:30:48,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz'
2025-08-31T09:30:48,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz'
2025-08-31T09:30:48,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz'
2025-08-31T09:30:48,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz'
2025-08-31T09:30:48,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz'
2025-08-31T09:30:48,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz'
2025-08-31T09:30:48,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz'
2025-08-31T09:30:48,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz'
2025-08-31T09:30:48,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz'
2025-08-31T09:30:48,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz'
2025-08-31T09:30:48,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz'
2025-08-31T09:30:48,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz'
2025-08-31T09:30:48,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz'
2025-08-31T09:30:48,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz'
2025-08-31T09:30:48,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz'
2025-08-31T09:30:48,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz'
2025-08-31T09:30:48,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz'
2025-08-31T09:30:48,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz'
2025-08-31T09:30:48,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz'
2025-08-31T09:30:48,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz'
2025-08-31T09:30:48,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz'
2025-08-31T09:30:48,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz'
2025-08-31T09:30:48,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz'
2025-08-31T09:30:48,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz'
2025-08-31T09:30:48,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz'
2025-08-31T09:30:48,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz'
2025-08-31T09:30:48,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz'
2025-08-31T09:30:48,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz'
2025-08-31T09:30:48,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz'
2025-08-31T09:30:48,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz'
2025-08-31T09:30:48,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz'
2025-08-31T09:30:48,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz'
2025-08-31T09:30:48,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz'
2025-08-31T09:30:48,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz'
2025-08-31T09:30:48,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz'
2025-08-31T09:30:48,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz'
2025-08-31T09:30:48,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz'
2025-08-31T09:30:48,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz'
2025-08-31T09:30:48,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz'
2025-08-31T09:30:48,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz'
2025-08-31T09:30:48,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz'
2025-08-31T09:30:48,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz'
2025-08-31T09:30:48,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz'
2025-08-31T09:30:48,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz'
2025-08-31T09:30:48,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz'
2025-08-31T09:30:48,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz'
2025-08-31T09:30:48,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz'
2025-08-31T09:30:48,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz'
2025-08-31T09:30:48,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz'
2025-08-31T09:30:48,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz'
2025-08-31T09:30:48,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz'
2025-08-31T09:30:48,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz'
2025-08-31T09:30:48,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz'
2025-08-31T09:30:48,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz'
2025-08-31T09:30:48,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz'
2025-08-31T09:30:48,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz'
2025-08-31T09:30:48,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz'
2025-08-31T09:30:48,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz'
2025-08-31T09:30:48,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz'
2025-08-31T09:30:48,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz'
2025-08-31T09:30:48,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz'
2025-08-31T09:30:48,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz'
2025-08-31T09:30:48,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz'
2025-08-31T09:30:48,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz'
2025-08-31T09:30:48,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz'
2025-08-31T09:30:48,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz'
2025-08-31T09:30:48,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz'
2025-08-31T09:30:48,150   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz'
2025-08-31T09:30:48,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz'
2025-08-31T09:30:48,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz'
2025-08-31T09:30:48,155   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz'
2025-08-31T09:30:48,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz'
2025-08-31T09:30:48,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz'
2025-08-31T09:30:48,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz'
2025-08-31T09:30:48,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz'
2025-08-31T09:30:48,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz'
2025-08-31T09:30:48,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz'
2025-08-31T09:30:48,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz'
2025-08-31T09:30:48,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz'
2025-08-31T09:30:48,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz'
2025-08-31T09:30:48,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz'
2025-08-31T09:30:48,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz'
2025-08-31T09:30:48,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz'
2025-08-31T09:30:48,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz'
2025-08-31T09:30:48,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz'
2025-08-31T09:30:48,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz'
2025-08-31T09:30:48,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz'
2025-08-31T09:30:48,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz'
2025-08-31T09:30:48,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz'
2025-08-31T09:30:48,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz'
2025-08-31T09:30:48,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz'
2025-08-31T09:30:48,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz'
2025-08-31T09:30:48,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz'
2025-08-31T09:30:48,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz'
2025-08-31T09:30:48,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz'
2025-08-31T09:30:48,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz'
2025-08-31T09:30:48,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz'
2025-08-31T09:30:48,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz'
2025-08-31T09:30:48,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz'
2025-08-31T09:30:48,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz'
2025-08-31T09:30:48,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz'
2025-08-31T09:30:48,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz'
2025-08-31T09:30:48,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz'
2025-08-31T09:30:48,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz'
2025-08-31T09:30:48,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz'
2025-08-31T09:30:48,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz'
2025-08-31T09:30:48,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz'
2025-08-31T09:30:48,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz'
2025-08-31T09:30:48,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz'
2025-08-31T09:30:48,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz'
2025-08-31T09:30:48,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz'
2025-08-31T09:30:48,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz'
2025-08-31T09:30:48,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz'
2025-08-31T09:30:48,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz'
2025-08-31T09:30:48,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz'
2025-08-31T09:30:48,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz'
2025-08-31T09:30:48,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz'
2025-08-31T09:30:48,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz'
2025-08-31T09:30:48,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz'
2025-08-31T09:30:48,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz'
2025-08-31T09:30:48,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz'
2025-08-31T09:30:48,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz'
2025-08-31T09:30:48,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz'
2025-08-31T09:30:48,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz'
2025-08-31T09:30:48,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz'
2025-08-31T09:30:48,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz'
2025-08-31T09:30:48,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz'
2025-08-31T09:30:48,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz'
2025-08-31T09:30:48,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz'
2025-08-31T09:30:48,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz'
2025-08-31T09:30:48,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz'
2025-08-31T09:30:48,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz'
2025-08-31T09:30:48,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz'
2025-08-31T09:30:48,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz'
2025-08-31T09:30:48,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz'
2025-08-31T09:30:48,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz'
2025-08-31T09:30:48,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz'
2025-08-31T09:30:48,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz'
2025-08-31T09:30:48,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz'
2025-08-31T09:30:48,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz'
2025-08-31T09:30:48,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz'
2025-08-31T09:30:48,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz'
2025-08-31T09:30:48,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz'
2025-08-31T09:30:48,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz'
2025-08-31T09:30:48,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz'
2025-08-31T09:30:48,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz'
2025-08-31T09:30:48,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz'
2025-08-31T09:30:48,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz'
2025-08-31T09:30:48,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz'
2025-08-31T09:30:48,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz'
2025-08-31T09:30:48,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz'
2025-08-31T09:30:48,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz'
2025-08-31T09:30:48,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz'
2025-08-31T09:30:48,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz'
2025-08-31T09:30:48,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz'
2025-08-31T09:30:48,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz'
2025-08-31T09:30:48,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz'
2025-08-31T09:30:48,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz'
2025-08-31T09:30:48,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz'
2025-08-31T09:30:48,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz'
2025-08-31T09:30:48,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz'
2025-08-31T09:30:48,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz'
2025-08-31T09:30:48,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz'
2025-08-31T09:30:48,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz'
2025-08-31T09:30:48,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz'
2025-08-31T09:30:48,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz'
2025-08-31T09:30:48,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz'
2025-08-31T09:30:48,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz'
2025-08-31T09:30:48,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz'
2025-08-31T09:30:48,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz'
2025-08-31T09:30:48,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz'
2025-08-31T09:30:48,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz'
2025-08-31T09:30:48,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz'
2025-08-31T09:30:48,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz'
2025-08-31T09:30:48,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz'
2025-08-31T09:30:48,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz'
2025-08-31T09:30:48,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz'
2025-08-31T09:30:48,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz'
2025-08-31T09:30:48,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz'
2025-08-31T09:30:48,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz'
2025-08-31T09:30:48,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz'
2025-08-31T09:30:48,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz'
2025-08-31T09:30:48,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz'
2025-08-31T09:30:48,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz'
2025-08-31T09:30:48,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz'
2025-08-31T09:30:48,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz'
2025-08-31T09:30:48,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz'
2025-08-31T09:30:48,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz'
2025-08-31T09:30:48,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz'
2025-08-31T09:30:48,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz'
2025-08-31T09:30:48,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz'
2025-08-31T09:30:48,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz'
2025-08-31T09:30:48,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz'
2025-08-31T09:30:48,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz'
2025-08-31T09:30:48,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz'
2025-08-31T09:30:48,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz'
2025-08-31T09:30:48,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz'
2025-08-31T09:30:48,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz'
2025-08-31T09:30:48,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz'
2025-08-31T09:30:48,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz'
2025-08-31T09:30:48,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz'
2025-08-31T09:30:48,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz'
2025-08-31T09:30:48,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz'
2025-08-31T09:30:48,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz'
2025-08-31T09:30:48,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz'
2025-08-31T09:30:48,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz'
2025-08-31T09:30:48,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz'
2025-08-31T09:30:48,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz'
2025-08-31T09:30:48,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz'
2025-08-31T09:30:48,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz'
2025-08-31T09:30:48,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz'
2025-08-31T09:30:48,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz'
2025-08-31T09:30:48,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz'
2025-08-31T09:30:48,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz'
2025-08-31T09:30:48,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz'
2025-08-31T09:30:48,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz'
2025-08-31T09:30:48,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz'
2025-08-31T09:30:48,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz'
2025-08-31T09:30:48,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz'
2025-08-31T09:30:48,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz'
2025-08-31T09:30:48,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz'
2025-08-31T09:30:48,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz'
2025-08-31T09:30:48,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz'
2025-08-31T09:30:48,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz'
2025-08-31T09:30:48,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz'
2025-08-31T09:30:48,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz'
2025-08-31T09:30:48,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz'
2025-08-31T09:30:48,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz'
2025-08-31T09:30:48,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz'
2025-08-31T09:30:48,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz'
2025-08-31T09:30:48,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz'
2025-08-31T09:30:48,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz'
2025-08-31T09:30:48,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz'
2025-08-31T09:30:48,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz'
2025-08-31T09:30:48,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz'
2025-08-31T09:30:48,680   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz'
2025-08-31T09:30:48,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz'
2025-08-31T09:30:48,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz'
2025-08-31T09:30:48,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz'
2025-08-31T09:30:48,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add/struc.xyz'
2025-08-31T09:30:48,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add/struc.xyz'
2025-08-31T09:30:48,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz'
2025-08-31T09:30:48,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz'
2025-08-31T09:30:48,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz'
2025-08-31T09:30:48,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz'
2025-08-31T09:30:48,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz'
2025-08-31T09:30:48,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz'
2025-08-31T09:30:48,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz'
2025-08-31T09:30:48,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz'
2025-08-31T09:30:48,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz'
2025-08-31T09:30:48,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz'
2025-08-31T09:30:48,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz'
2025-08-31T09:30:48,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz'
2025-08-31T09:30:48,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz'
2025-08-31T09:30:48,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz'
2025-08-31T09:30:48,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz'
2025-08-31T09:30:48,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz'
2025-08-31T09:30:48,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz'
2025-08-31T09:30:48,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz'
2025-08-31T09:30:48,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz'
2025-08-31T09:30:48,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz'
2025-08-31T09:30:48,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz'
2025-08-31T09:30:48,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz'
2025-08-31T09:30:48,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz'
2025-08-31T09:30:48,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz'
2025-08-31T09:30:48,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz'
2025-08-31T09:30:48,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz'
2025-08-31T09:30:48,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz'
2025-08-31T09:30:48,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz'
2025-08-31T09:30:48,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz'
2025-08-31T09:30:48,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz'
2025-08-31T09:30:48,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz'
2025-08-31T09:30:48,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz'
2025-08-31T09:30:48,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz'
2025-08-31T09:30:48,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz'
2025-08-31T09:30:48,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz'
2025-08-31T09:30:48,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz'
2025-08-31T09:30:48,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz'
2025-08-31T09:30:48,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz'
2025-08-31T09:30:48,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz'
2025-08-31T09:30:48,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz'
2025-08-31T09:30:48,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz'
2025-08-31T09:30:48,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz'
2025-08-31T09:30:48,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz'
2025-08-31T09:30:48,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz'
2025-08-31T09:30:48,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz'
2025-08-31T09:30:48,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz'
2025-08-31T09:30:48,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz'
2025-08-31T09:30:48,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz'
2025-08-31T09:30:48,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz'
2025-08-31T09:30:48,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz'
2025-08-31T09:30:48,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz'
2025-08-31T09:30:48,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz'
2025-08-31T09:30:48,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz'
2025-08-31T09:30:48,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz'
2025-08-31T09:30:48,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz'
2025-08-31T09:30:48,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz'
2025-08-31T09:30:48,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz'
2025-08-31T09:30:48,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz'
2025-08-31T09:30:48,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz'
2025-08-31T09:30:48,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz'
2025-08-31T09:30:48,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz'
2025-08-31T09:30:48,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz'
2025-08-31T09:30:48,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz'
2025-08-31T09:30:48,802   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz'
2025-08-31T09:30:48,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz'
2025-08-31T09:30:48,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz'
2025-08-31T09:30:48,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz'
2025-08-31T09:30:48,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz'
2025-08-31T09:30:48,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz'
2025-08-31T09:30:48,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz'
2025-08-31T09:30:48,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz'
2025-08-31T09:30:48,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz'
2025-08-31T09:30:48,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz'
2025-08-31T09:30:48,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2/struc.xyz'
2025-08-31T09:30:48,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2/struc.xyz'
2025-08-31T09:30:48,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz'
2025-08-31T09:30:48,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz'
2025-08-31T09:30:48,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene/struc.xyz'
2025-08-31T09:30:48,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz'
2025-08-31T09:30:48,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz'
2025-08-31T09:30:48,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz'
2025-08-31T09:30:48,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz'
2025-08-31T09:30:48,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz'
2025-08-31T09:30:48,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz'
2025-08-31T09:30:48,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz'
2025-08-31T09:30:48,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz'
2025-08-31T09:30:48,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz'
2025-08-31T09:30:48,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz'
2025-08-31T09:30:48,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz'
2025-08-31T09:30:48,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz'
2025-08-31T09:30:48,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz'
2025-08-31T09:30:48,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz'
2025-08-31T09:30:48,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz'
2025-08-31T09:30:48,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz'
2025-08-31T09:30:48,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz'
2025-08-31T09:30:48,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz'
2025-08-31T09:30:48,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz'
2025-08-31T09:30:48,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz'
2025-08-31T09:30:48,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz'
2025-08-31T09:30:48,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz'
2025-08-31T09:30:48,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz'
2025-08-31T09:30:48,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz'
2025-08-31T09:30:48,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz'
2025-08-31T09:30:48,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz'
2025-08-31T09:30:48,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz'
2025-08-31T09:30:48,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz'
2025-08-31T09:30:48,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz'
2025-08-31T09:30:48,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz'
2025-08-31T09:30:48,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz'
2025-08-31T09:30:48,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz'
2025-08-31T09:30:48,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene/struc.xyz'
2025-08-31T09:30:48,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz'
2025-08-31T09:30:48,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz'
2025-08-31T09:30:48,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz'
2025-08-31T09:30:48,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz'
2025-08-31T09:30:48,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz'
2025-08-31T09:30:48,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz'
2025-08-31T09:30:48,914   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz'
2025-08-31T09:30:48,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz'
2025-08-31T09:30:48,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz'
2025-08-31T09:30:48,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz'
2025-08-31T09:30:48,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz'
2025-08-31T09:30:48,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz'
2025-08-31T09:30:48,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz'
2025-08-31T09:30:48,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz'
2025-08-31T09:30:48,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz'
2025-08-31T09:30:48,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz'
2025-08-31T09:30:48,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz'
2025-08-31T09:30:48,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz'
2025-08-31T09:30:48,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz'
2025-08-31T09:30:48,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz'
2025-08-31T09:30:48,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz'
2025-08-31T09:30:48,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz'
2025-08-31T09:30:48,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz'
2025-08-31T09:30:48,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz'
2025-08-31T09:30:48,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz'
2025-08-31T09:30:48,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz'
2025-08-31T09:30:48,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz'
2025-08-31T09:30:48,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz'
2025-08-31T09:30:48,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz'
2025-08-31T09:30:48,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz'
2025-08-31T09:30:48,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz'
2025-08-31T09:30:48,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz'
2025-08-31T09:30:48,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz'
2025-08-31T09:30:48,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz'
2025-08-31T09:30:48,976   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz'
2025-08-31T09:30:48,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz'
2025-08-31T09:30:48,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz'
2025-08-31T09:30:48,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz'
2025-08-31T09:30:48,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz'
2025-08-31T09:30:48,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz'
2025-08-31T09:30:48,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz'
2025-08-31T09:30:48,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz'
2025-08-31T09:30:48,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz'
2025-08-31T09:30:48,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz'
2025-08-31T09:30:48,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz'
2025-08-31T09:30:49,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz'
2025-08-31T09:30:49,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz'
2025-08-31T09:30:49,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz'
2025-08-31T09:30:49,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz'
2025-08-31T09:30:49,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz'
2025-08-31T09:30:49,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz'
2025-08-31T09:30:49,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz'
2025-08-31T09:30:49,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz'
2025-08-31T09:30:49,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz'
2025-08-31T09:30:49,020   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz'
2025-08-31T09:30:49,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz'
2025-08-31T09:30:49,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz'
2025-08-31T09:30:49,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz'
2025-08-31T09:30:49,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz'
2025-08-31T09:30:49,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz'
2025-08-31T09:30:49,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz'
2025-08-31T09:30:49,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz'
2025-08-31T09:30:49,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz'
2025-08-31T09:30:49,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz'
2025-08-31T09:30:49,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz'
2025-08-31T09:30:49,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz'
2025-08-31T09:30:49,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz'
2025-08-31T09:30:49,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz'
2025-08-31T09:30:49,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz'
2025-08-31T09:30:49,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz'
2025-08-31T09:30:49,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz'
2025-08-31T09:30:49,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz'
2025-08-31T09:30:49,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz'
2025-08-31T09:30:49,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz'
2025-08-31T09:30:49,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz'
2025-08-31T09:30:49,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz'
2025-08-31T09:30:49,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz'
2025-08-31T09:30:49,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz'
2025-08-31T09:30:49,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz'
2025-08-31T09:30:49,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz'
2025-08-31T09:30:49,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz'
2025-08-31T09:30:49,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz'
2025-08-31T09:30:49,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz'
2025-08-31T09:30:49,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz'
2025-08-31T09:30:49,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz'
2025-08-31T09:30:49,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz'
2025-08-31T09:30:49,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz'
2025-08-31T09:30:49,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz'
2025-08-31T09:30:49,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz'
2025-08-31T09:30:49,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz'
2025-08-31T09:30:49,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz'
2025-08-31T09:30:49,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz'
2025-08-31T09:30:49,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz'
2025-08-31T09:30:49,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz'
2025-08-31T09:30:49,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz'
2025-08-31T09:30:49,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz'
2025-08-31T09:30:49,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz'
2025-08-31T09:30:49,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz'
2025-08-31T09:30:49,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz'
2025-08-31T09:30:49,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz'
2025-08-31T09:30:49,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz'
2025-08-31T09:30:49,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz'
2025-08-31T09:30:49,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz'
2025-08-31T09:30:49,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz'
2025-08-31T09:30:49,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz'
2025-08-31T09:30:49,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz'
2025-08-31T09:30:49,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz'
2025-08-31T09:30:49,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz'
2025-08-31T09:30:49,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz'
2025-08-31T09:30:49,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz'
2025-08-31T09:30:49,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz'
2025-08-31T09:30:49,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz'
2025-08-31T09:30:49,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz'
2025-08-31T09:30:49,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz'
2025-08-31T09:30:49,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz'
2025-08-31T09:30:49,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz'
2025-08-31T09:30:49,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz'
2025-08-31T09:30:49,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz'
2025-08-31T09:30:49,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz'
2025-08-31T09:30:49,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz'
2025-08-31T09:30:49,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz'
2025-08-31T09:30:49,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz'
2025-08-31T09:30:49,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz'
2025-08-31T09:30:49,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz'
2025-08-31T09:30:49,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz'
2025-08-31T09:30:49,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz'
2025-08-31T09:30:49,150   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz'
2025-08-31T09:30:49,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz'
2025-08-31T09:30:49,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz'
2025-08-31T09:30:49,155   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz'
2025-08-31T09:30:49,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz'
2025-08-31T09:30:49,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz'
2025-08-31T09:30:49,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz'
2025-08-31T09:30:49,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz'
2025-08-31T09:30:49,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz'
2025-08-31T09:30:49,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz'
2025-08-31T09:30:49,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz'
2025-08-31T09:30:49,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz'
2025-08-31T09:30:49,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz'
2025-08-31T09:30:49,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz'
2025-08-31T09:30:49,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz'
2025-08-31T09:30:49,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz'
2025-08-31T09:30:49,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz'
2025-08-31T09:30:49,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz'
2025-08-31T09:30:49,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz'
2025-08-31T09:30:49,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz'
2025-08-31T09:30:49,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz'
2025-08-31T09:30:49,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz'
2025-08-31T09:30:49,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz'
2025-08-31T09:30:49,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz'
2025-08-31T09:30:49,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz'
2025-08-31T09:30:49,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz'
2025-08-31T09:30:49,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz'
2025-08-31T09:30:49,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz'
2025-08-31T09:30:49,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz'
2025-08-31T09:30:49,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz'
2025-08-31T09:30:49,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz'
2025-08-31T09:30:49,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz'
2025-08-31T09:30:49,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz'
2025-08-31T09:30:49,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz'
2025-08-31T09:30:49,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz'
2025-08-31T09:30:49,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz'
2025-08-31T09:30:49,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz'
2025-08-31T09:30:49,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz'
2025-08-31T09:30:49,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz'
2025-08-31T09:30:49,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz'
2025-08-31T09:30:49,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz'
2025-08-31T09:30:49,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz'
2025-08-31T09:30:49,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA/struc.xyz'
2025-08-31T09:30:49,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz'
2025-08-31T09:30:49,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB/struc.xyz'
2025-08-31T09:30:49,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA/struc.xyz'
2025-08-31T09:30:49,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz'
2025-08-31T09:30:49,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB/struc.xyz'
2025-08-31T09:30:49,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz'
2025-08-31T09:30:49,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz'
2025-08-31T09:30:49,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz'
2025-08-31T09:30:49,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz'
2025-08-31T09:30:49,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz'
2025-08-31T09:30:49,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz'
2025-08-31T09:30:49,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz'
2025-08-31T09:30:49,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz'
2025-08-31T09:30:49,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz'
2025-08-31T09:30:49,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz'
2025-08-31T09:30:49,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz'
2025-08-31T09:30:49,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz'
2025-08-31T09:30:49,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz'
2025-08-31T09:30:49,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz'
2025-08-31T09:30:49,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz'
2025-08-31T09:30:49,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz'
2025-08-31T09:30:49,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz'
2025-08-31T09:30:49,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz'
2025-08-31T09:30:49,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz'
2025-08-31T09:30:49,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz'
2025-08-31T09:30:49,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz'
2025-08-31T09:30:49,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz'
2025-08-31T09:30:49,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz'
2025-08-31T09:30:49,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz'
2025-08-31T09:30:49,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz'
2025-08-31T09:30:49,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz'
2025-08-31T09:30:49,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz'
2025-08-31T09:30:49,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz'
2025-08-31T09:30:49,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz'
2025-08-31T09:30:49,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz'
2025-08-31T09:30:49,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz'
2025-08-31T09:30:49,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz'
2025-08-31T09:30:49,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz'
2025-08-31T09:30:49,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz'
2025-08-31T09:30:49,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz'
2025-08-31T09:30:49,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz'
2025-08-31T09:30:49,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz'
2025-08-31T09:30:49,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz'
2025-08-31T09:30:49,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz'
2025-08-31T09:30:49,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz'
2025-08-31T09:30:49,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz'
2025-08-31T09:30:49,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz'
2025-08-31T09:30:49,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz'
2025-08-31T09:30:49,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz'
2025-08-31T09:30:49,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz'
2025-08-31T09:30:49,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz'
2025-08-31T09:30:49,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz'
2025-08-31T09:30:49,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz'
2025-08-31T09:30:49,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz'
2025-08-31T09:30:49,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz'
2025-08-31T09:30:49,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz'
2025-08-31T09:30:49,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz'
2025-08-31T09:30:49,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz'
2025-08-31T09:30:49,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz'
2025-08-31T09:30:49,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz'
2025-08-31T09:30:49,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz'
2025-08-31T09:30:49,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz'
2025-08-31T09:30:49,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz'
2025-08-31T09:30:49,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz'
2025-08-31T09:30:49,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz'
2025-08-31T09:30:49,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz'
2025-08-31T09:30:49,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz'
2025-08-31T09:30:49,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz'
2025-08-31T09:30:49,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz'
2025-08-31T09:30:49,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz'
2025-08-31T09:30:49,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz'
2025-08-31T09:30:49,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz'
2025-08-31T09:30:49,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz'
2025-08-31T09:30:49,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz'
2025-08-31T09:30:49,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz'
2025-08-31T09:30:49,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz'
2025-08-31T09:30:49,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz'
2025-08-31T09:30:49,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz'
2025-08-31T09:30:49,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz'
2025-08-31T09:30:49,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz'
2025-08-31T09:30:49,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz'
2025-08-31T09:30:49,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz'
2025-08-31T09:30:49,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz'
2025-08-31T09:30:49,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz'
2025-08-31T09:30:49,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz'
2025-08-31T09:30:49,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz'
2025-08-31T09:30:49,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz'
2025-08-31T09:30:49,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz'
2025-08-31T09:30:49,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz'
2025-08-31T09:30:49,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz'
2025-08-31T09:30:49,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz'
2025-08-31T09:30:49,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz'
2025-08-31T09:30:49,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz'
2025-08-31T09:30:49,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz'
2025-08-31T09:30:49,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz'
2025-08-31T09:30:49,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz'
2025-08-31T09:30:49,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz'
2025-08-31T09:30:49,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz'
2025-08-31T09:30:49,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz'
2025-08-31T09:30:49,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz'
2025-08-31T09:30:49,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz'
2025-08-31T09:30:49,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz'
2025-08-31T09:30:49,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz'
2025-08-31T09:30:49,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz'
2025-08-31T09:30:49,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz'
2025-08-31T09:30:49,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz'
2025-08-31T09:30:49,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz'
2025-08-31T09:30:49,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz'
2025-08-31T09:30:49,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz'
2025-08-31T09:30:49,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz'
2025-08-31T09:30:49,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz'
2025-08-31T09:30:49,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz'
2025-08-31T09:30:49,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz'
2025-08-31T09:30:49,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz'
2025-08-31T09:30:49,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz'
2025-08-31T09:30:49,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz'
2025-08-31T09:30:49,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz'
2025-08-31T09:30:49,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz'
2025-08-31T09:30:49,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz'
2025-08-31T09:30:49,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz'
2025-08-31T09:30:49,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz'
2025-08-31T09:30:49,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz'
2025-08-31T09:30:49,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz'
2025-08-31T09:30:49,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz'
2025-08-31T09:30:49,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz'
2025-08-31T09:30:49,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz'
2025-08-31T09:30:49,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz'
2025-08-31T09:30:49,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz'
2025-08-31T09:30:49,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz'
2025-08-31T09:30:49,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz'
2025-08-31T09:30:49,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz'
2025-08-31T09:30:49,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz'
2025-08-31T09:30:49,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz'
2025-08-31T09:30:49,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz'
2025-08-31T09:30:49,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz'
2025-08-31T09:30:49,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz'
2025-08-31T09:30:49,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz'
2025-08-31T09:30:49,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz'
2025-08-31T09:30:49,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz'
2025-08-31T09:30:49,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz'
2025-08-31T09:30:49,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz'
2025-08-31T09:30:49,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz'
2025-08-31T09:30:49,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz'
2025-08-31T09:30:49,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz'
2025-08-31T09:30:49,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz'
2025-08-31T09:30:49,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz'
2025-08-31T09:30:49,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz'
2025-08-31T09:30:49,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz'
2025-08-31T09:30:49,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz'
2025-08-31T09:30:49,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz'
2025-08-31T09:30:49,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz'
2025-08-31T09:30:49,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz'
2025-08-31T09:30:49,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz'
2025-08-31T09:30:49,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz'
2025-08-31T09:30:49,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz'
2025-08-31T09:30:49,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz'
2025-08-31T09:30:49,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz'
2025-08-31T09:30:49,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz'
2025-08-31T09:30:49,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz'
2025-08-31T09:30:49,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz'
2025-08-31T09:30:49,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz'
2025-08-31T09:30:49,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz'
2025-08-31T09:30:49,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz'
2025-08-31T09:30:49,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz'
2025-08-31T09:30:49,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz'
2025-08-31T09:30:49,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz'
2025-08-31T09:30:49,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz'
2025-08-31T09:30:49,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz'
2025-08-31T09:30:49,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz'
2025-08-31T09:30:49,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz'
2025-08-31T09:30:49,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz'
2025-08-31T09:30:49,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz'
2025-08-31T09:30:49,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz'
2025-08-31T09:30:49,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz'
2025-08-31T09:30:49,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz'
2025-08-31T09:30:49,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz'
2025-08-31T09:30:49,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz'
2025-08-31T09:30:49,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz'
2025-08-31T09:30:49,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz'
2025-08-31T09:30:49,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz'
2025-08-31T09:30:49,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz'
2025-08-31T09:30:49,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz'
2025-08-31T09:30:49,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz'
2025-08-31T09:30:49,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz'
2025-08-31T09:30:49,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz'
2025-08-31T09:30:49,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz'
2025-08-31T09:30:49,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz'
2025-08-31T09:30:49,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz'
2025-08-31T09:30:49,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz'
2025-08-31T09:30:49,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz'
2025-08-31T09:30:49,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz'
2025-08-31T09:30:49,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz'
2025-08-31T09:30:49,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz'
2025-08-31T09:30:49,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz'
2025-08-31T09:30:49,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz'
2025-08-31T09:30:49,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz'
2025-08-31T09:30:49,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz'
2025-08-31T09:30:49,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz'
2025-08-31T09:30:49,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz'
2025-08-31T09:30:49,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz'
2025-08-31T09:30:49,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz'
2025-08-31T09:30:49,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz'
2025-08-31T09:30:49,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz'
2025-08-31T09:30:49,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz'
2025-08-31T09:30:49,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz'
2025-08-31T09:30:49,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz'
2025-08-31T09:30:49,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz'
2025-08-31T09:30:49,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz'
2025-08-31T09:30:49,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz'
2025-08-31T09:30:49,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz'
2025-08-31T09:30:49,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz'
2025-08-31T09:30:49,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz'
2025-08-31T09:30:49,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz'
2025-08-31T09:30:49,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz'
2025-08-31T09:30:49,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz'
2025-08-31T09:30:49,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz'
2025-08-31T09:30:49,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz'
2025-08-31T09:30:49,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz'
2025-08-31T09:30:49,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz'
2025-08-31T09:30:49,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz'
2025-08-31T09:30:49,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz'
2025-08-31T09:30:49,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz'
2025-08-31T09:30:49,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz'
2025-08-31T09:30:49,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz'
2025-08-31T09:30:49,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz'
2025-08-31T09:30:49,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz'
2025-08-31T09:30:49,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz'
2025-08-31T09:30:49,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz'
2025-08-31T09:30:49,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz'
2025-08-31T09:30:49,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz'
2025-08-31T09:30:49,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz'
2025-08-31T09:30:49,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz'
2025-08-31T09:30:49,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz'
2025-08-31T09:30:49,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz'
2025-08-31T09:30:49,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz'
2025-08-31T09:30:49,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz'
2025-08-31T09:30:49,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz'
2025-08-31T09:30:49,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz'
2025-08-31T09:30:49,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz'
2025-08-31T09:30:49,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz'
2025-08-31T09:30:49,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz'
2025-08-31T09:30:49,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz'
2025-08-31T09:30:49,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz'
2025-08-31T09:30:49,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz'
2025-08-31T09:30:49,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz'
2025-08-31T09:30:49,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz'
2025-08-31T09:30:49,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz'
2025-08-31T09:30:49,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz'
2025-08-31T09:30:49,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz'
2025-08-31T09:30:49,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz'
2025-08-31T09:30:49,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz'
2025-08-31T09:30:49,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz'
2025-08-31T09:30:49,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz'
2025-08-31T09:30:49,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz'
2025-08-31T09:30:49,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz'
2025-08-31T09:30:49,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz'
2025-08-31T09:30:49,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz'
2025-08-31T09:30:49,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz'
2025-08-31T09:30:49,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz'
2025-08-31T09:30:49,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz'
2025-08-31T09:30:49,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz'
2025-08-31T09:30:49,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz'
2025-08-31T09:30:49,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz'
2025-08-31T09:30:49,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz'
2025-08-31T09:30:49,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz'
2025-08-31T09:30:49,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz'
2025-08-31T09:30:49,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz'
2025-08-31T09:30:49,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz'
2025-08-31T09:30:49,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz'
2025-08-31T09:30:49,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz'
2025-08-31T09:30:49,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz'
2025-08-31T09:30:49,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz'
2025-08-31T09:30:49,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz'
2025-08-31T09:30:49,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz'
2025-08-31T09:30:49,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz'
2025-08-31T09:30:49,733   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz'
2025-08-31T09:30:49,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz'
2025-08-31T09:30:49,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz'
2025-08-31T09:30:49,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz'
2025-08-31T09:30:49,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz'
2025-08-31T09:30:49,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz'
2025-08-31T09:30:49,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz'
2025-08-31T09:30:49,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz'
2025-08-31T09:30:49,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz'
2025-08-31T09:30:49,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz'
2025-08-31T09:30:49,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz'
2025-08-31T09:30:49,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz'
2025-08-31T09:30:49,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz'
2025-08-31T09:30:49,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz'
2025-08-31T09:30:49,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz'
2025-08-31T09:30:49,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz'
2025-08-31T09:30:49,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz'
2025-08-31T09:30:49,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz'
2025-08-31T09:30:49,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz'
2025-08-31T09:30:49,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz'
2025-08-31T09:30:49,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz'
2025-08-31T09:30:49,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz'
2025-08-31T09:30:49,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz'
2025-08-31T09:30:49,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz'
2025-08-31T09:30:49,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz'
2025-08-31T09:30:49,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz'
2025-08-31T09:30:49,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz'
2025-08-31T09:30:49,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz'
2025-08-31T09:30:49,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz'
2025-08-31T09:30:49,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz'
2025-08-31T09:30:49,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz'
2025-08-31T09:30:49,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz'
2025-08-31T09:30:49,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz'
2025-08-31T09:30:49,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz'
2025-08-31T09:30:49,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz'
2025-08-31T09:30:49,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz'
2025-08-31T09:30:49,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz'
2025-08-31T09:30:49,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz'
2025-08-31T09:30:49,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz'
2025-08-31T09:30:49,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz'
2025-08-31T09:30:49,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz'
2025-08-31T09:30:49,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz'
2025-08-31T09:30:49,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz'
2025-08-31T09:30:49,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz'
2025-08-31T09:30:49,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz'
2025-08-31T09:30:49,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz'
2025-08-31T09:30:49,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz'
2025-08-31T09:30:49,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz'
2025-08-31T09:30:49,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz'
2025-08-31T09:30:49,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz'
2025-08-31T09:30:49,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz'
2025-08-31T09:30:49,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz'
2025-08-31T09:30:49,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz'
2025-08-31T09:30:49,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz'
2025-08-31T09:30:49,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz'
2025-08-31T09:30:49,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz'
2025-08-31T09:30:49,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz'
2025-08-31T09:30:49,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz'
2025-08-31T09:30:49,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz'
2025-08-31T09:30:49,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz'
2025-08-31T09:30:49,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz'
2025-08-31T09:30:49,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz'
2025-08-31T09:30:49,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz'
2025-08-31T09:30:49,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz'
2025-08-31T09:30:49,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz'
2025-08-31T09:30:49,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz'
2025-08-31T09:30:49,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz'
2025-08-31T09:30:49,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz'
2025-08-31T09:30:49,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz'
2025-08-31T09:30:49,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz'
2025-08-31T09:30:49,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz'
2025-08-31T09:30:49,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz'
2025-08-31T09:30:49,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz'
2025-08-31T09:30:49,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz'
2025-08-31T09:30:49,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz'
2025-08-31T09:30:49,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz'
2025-08-31T09:30:49,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz'
2025-08-31T09:30:49,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz'
2025-08-31T09:30:49,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz'
2025-08-31T09:30:49,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz'
2025-08-31T09:30:49,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz'
2025-08-31T09:30:49,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz'
2025-08-31T09:30:49,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz'
2025-08-31T09:30:49,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz'
2025-08-31T09:30:49,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz'
2025-08-31T09:30:49,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz'
2025-08-31T09:30:49,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz'
2025-08-31T09:30:49,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz'
2025-08-31T09:30:49,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz'
2025-08-31T09:30:49,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz'
2025-08-31T09:30:49,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz'
2025-08-31T09:30:49,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz'
2025-08-31T09:30:49,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz'
2025-08-31T09:30:49,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz'
2025-08-31T09:30:49,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz'
2025-08-31T09:30:49,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz'
2025-08-31T09:30:49,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz'
2025-08-31T09:30:49,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz'
2025-08-31T09:30:49,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz'
2025-08-31T09:30:49,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz'
2025-08-31T09:30:49,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz'
2025-08-31T09:30:49,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz'
2025-08-31T09:30:49,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz'
2025-08-31T09:30:49,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz'
2025-08-31T09:30:49,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz'
2025-08-31T09:30:49,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz'
2025-08-31T09:30:49,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz'
2025-08-31T09:30:49,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz'
2025-08-31T09:30:49,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz'
2025-08-31T09:30:49,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz'
2025-08-31T09:30:49,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz'
2025-08-31T09:30:49,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz'
2025-08-31T09:30:49,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz'
2025-08-31T09:30:49,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz'
2025-08-31T09:30:49,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz'
2025-08-31T09:30:49,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz'
2025-08-31T09:30:49,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz'
2025-08-31T09:30:49,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz'
2025-08-31T09:30:49,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz'
2025-08-31T09:30:49,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz'
2025-08-31T09:30:49,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz'
2025-08-31T09:30:49,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz'
2025-08-31T09:30:49,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz'
2025-08-31T09:30:49,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz'
2025-08-31T09:30:49,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz'
2025-08-31T09:30:49,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz'
2025-08-31T09:30:49,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz'
2025-08-31T09:30:49,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz'
2025-08-31T09:30:49,969   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz'
2025-08-31T09:30:49,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz'
2025-08-31T09:30:49,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz'
2025-08-31T09:30:49,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz'
2025-08-31T09:30:49,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz'
2025-08-31T09:30:49,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz'
2025-08-31T09:30:49,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz'
2025-08-31T09:30:49,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz'
2025-08-31T09:30:49,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz'
2025-08-31T09:30:49,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz'
2025-08-31T09:30:49,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz'
2025-08-31T09:30:49,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz'
2025-08-31T09:30:49,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz'
2025-08-31T09:30:49,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz'
2025-08-31T09:30:49,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz'
2025-08-31T09:30:49,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz'
2025-08-31T09:30:50,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz'
2025-08-31T09:30:50,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz'
2025-08-31T09:30:50,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz'
2025-08-31T09:30:50,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz'
2025-08-31T09:30:50,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz'
2025-08-31T09:30:50,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz'
2025-08-31T09:30:50,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz'
2025-08-31T09:30:50,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz'
2025-08-31T09:30:50,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz'
2025-08-31T09:30:50,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz'
2025-08-31T09:30:50,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz'
2025-08-31T09:30:50,020   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz'
2025-08-31T09:30:50,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz'
2025-08-31T09:30:50,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz'
2025-08-31T09:30:50,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz'
2025-08-31T09:30:50,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz'
2025-08-31T09:30:50,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz'
2025-08-31T09:30:50,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz'
2025-08-31T09:30:50,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz'
2025-08-31T09:30:50,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz'
2025-08-31T09:30:50,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz'
2025-08-31T09:30:50,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz'
2025-08-31T09:30:50,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz'
2025-08-31T09:30:50,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz'
2025-08-31T09:30:50,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz'
2025-08-31T09:30:50,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz'
2025-08-31T09:30:50,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz'
2025-08-31T09:30:50,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz'
2025-08-31T09:30:50,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz'
2025-08-31T09:30:50,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz'
2025-08-31T09:30:50,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz'
2025-08-31T09:30:50,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz'
2025-08-31T09:30:50,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz'
2025-08-31T09:30:50,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz'
2025-08-31T09:30:50,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz'
2025-08-31T09:30:50,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz'
2025-08-31T09:30:50,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz'
2025-08-31T09:30:50,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz'
2025-08-31T09:30:50,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz'
2025-08-31T09:30:50,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz'
2025-08-31T09:30:50,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz'
2025-08-31T09:30:50,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz'
2025-08-31T09:30:50,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz'
2025-08-31T09:30:50,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz'
2025-08-31T09:30:50,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz'
2025-08-31T09:30:50,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz'
2025-08-31T09:30:50,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz'
2025-08-31T09:30:50,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz'
2025-08-31T09:30:50,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz'
2025-08-31T09:30:50,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz'
2025-08-31T09:30:50,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz'
2025-08-31T09:30:50,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz'
2025-08-31T09:30:50,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz'
2025-08-31T09:30:50,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz'
2025-08-31T09:30:50,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz'
2025-08-31T09:30:50,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz'
2025-08-31T09:30:50,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz'
2025-08-31T09:30:50,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz'
2025-08-31T09:30:50,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz'
2025-08-31T09:30:50,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz'
2025-08-31T09:30:50,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz'
2025-08-31T09:30:50,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz'
2025-08-31T09:30:50,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz'
2025-08-31T09:30:50,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz'
2025-08-31T09:30:50,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz'
2025-08-31T09:30:50,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz'
2025-08-31T09:30:50,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz'
2025-08-31T09:30:50,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz'
2025-08-31T09:30:50,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz'
2025-08-31T09:30:50,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz'
2025-08-31T09:30:50,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz'
2025-08-31T09:30:50,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz'
2025-08-31T09:30:50,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz'
2025-08-31T09:30:50,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz'
2025-08-31T09:30:50,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz'
2025-08-31T09:30:50,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz'
2025-08-31T09:30:50,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz'
2025-08-31T09:30:50,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz'
2025-08-31T09:30:50,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz'
2025-08-31T09:30:50,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz'
2025-08-31T09:30:50,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz'
2025-08-31T09:30:50,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz'
2025-08-31T09:30:50,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz'
2025-08-31T09:30:50,150   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz'
2025-08-31T09:30:50,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz'
2025-08-31T09:30:50,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz'
2025-08-31T09:30:50,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz'
2025-08-31T09:30:50,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz'
2025-08-31T09:30:50,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz'
2025-08-31T09:30:50,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz'
2025-08-31T09:30:50,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz'
2025-08-31T09:30:50,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz'
2025-08-31T09:30:50,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz'
2025-08-31T09:30:50,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz'
2025-08-31T09:30:50,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz'
2025-08-31T09:30:50,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz'
2025-08-31T09:30:50,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz'
2025-08-31T09:30:50,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz'
2025-08-31T09:30:50,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz'
2025-08-31T09:30:50,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz'
2025-08-31T09:30:50,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz'
2025-08-31T09:30:50,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz'
2025-08-31T09:30:50,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz'
2025-08-31T09:30:50,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz'
2025-08-31T09:30:50,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz'
2025-08-31T09:30:50,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz'
2025-08-31T09:30:50,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz'
2025-08-31T09:30:50,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz'
2025-08-31T09:30:50,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz'
2025-08-31T09:30:50,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz'
2025-08-31T09:30:50,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz'
2025-08-31T09:30:50,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz'
2025-08-31T09:30:50,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz'
2025-08-31T09:30:50,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz'
2025-08-31T09:30:50,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz'
2025-08-31T09:30:50,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz'
2025-08-31T09:30:50,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz'
2025-08-31T09:30:50,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz'
2025-08-31T09:30:50,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz'
2025-08-31T09:30:50,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz'
2025-08-31T09:30:50,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz'
2025-08-31T09:30:50,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz'
2025-08-31T09:30:50,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz'
2025-08-31T09:30:50,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz'
2025-08-31T09:30:50,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz'
2025-08-31T09:30:50,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz'
2025-08-31T09:30:50,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz'
2025-08-31T09:30:50,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz'
2025-08-31T09:30:50,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz'
2025-08-31T09:30:50,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz'
2025-08-31T09:30:50,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz'
2025-08-31T09:30:50,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz'
2025-08-31T09:30:50,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz'
2025-08-31T09:30:50,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz'
2025-08-31T09:30:50,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz'
2025-08-31T09:30:50,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz'
2025-08-31T09:30:50,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz'
2025-08-31T09:30:50,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz'
2025-08-31T09:30:50,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz'
2025-08-31T09:30:50,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz'
2025-08-31T09:30:50,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz'
2025-08-31T09:30:50,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz'
2025-08-31T09:30:50,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz'
2025-08-31T09:30:50,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz'
2025-08-31T09:30:50,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz'
2025-08-31T09:30:50,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz'
2025-08-31T09:30:50,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz'
2025-08-31T09:30:50,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz'
2025-08-31T09:30:50,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz'
2025-08-31T09:30:50,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz'
2025-08-31T09:30:50,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz'
2025-08-31T09:30:50,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz'
2025-08-31T09:30:50,275   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz'
2025-08-31T09:30:50,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz'
2025-08-31T09:30:50,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz'
2025-08-31T09:30:50,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz'
2025-08-31T09:30:50,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz'
2025-08-31T09:30:50,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz'
2025-08-31T09:30:50,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz'
2025-08-31T09:30:50,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz'
2025-08-31T09:30:50,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz'
2025-08-31T09:30:50,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz'
2025-08-31T09:30:50,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz'
2025-08-31T09:30:50,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz'
2025-08-31T09:30:50,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz'
2025-08-31T09:30:50,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz'
2025-08-31T09:30:50,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz'
2025-08-31T09:30:50,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz'
2025-08-31T09:30:50,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz'
2025-08-31T09:30:50,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz'
2025-08-31T09:30:50,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz'
2025-08-31T09:30:50,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz'
2025-08-31T09:30:50,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz'
2025-08-31T09:30:50,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz'
2025-08-31T09:30:50,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz'
2025-08-31T09:30:50,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz'
2025-08-31T09:30:50,318   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz'
2025-08-31T09:30:50,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz'
2025-08-31T09:30:50,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz'
2025-08-31T09:30:50,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz'
2025-08-31T09:30:50,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz'
2025-08-31T09:30:50,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz'
2025-08-31T09:30:50,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz'
2025-08-31T09:30:50,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz'
2025-08-31T09:30:50,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz'
2025-08-31T09:30:50,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz'
2025-08-31T09:30:50,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz'
2025-08-31T09:30:50,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz'
2025-08-31T09:30:50,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz'
2025-08-31T09:30:50,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz'
2025-08-31T09:30:50,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz'
2025-08-31T09:30:50,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz'
2025-08-31T09:30:50,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz'
2025-08-31T09:30:50,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz'
2025-08-31T09:30:50,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz'
2025-08-31T09:30:50,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz'
2025-08-31T09:30:50,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz'
2025-08-31T09:30:50,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz'
2025-08-31T09:30:50,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz'
2025-08-31T09:30:50,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz'
2025-08-31T09:30:50,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz'
2025-08-31T09:30:50,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz'
2025-08-31T09:30:50,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz'
2025-08-31T09:30:50,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz'
2025-08-31T09:30:50,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz'
2025-08-31T09:30:50,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz'
2025-08-31T09:30:50,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz'
2025-08-31T09:30:50,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz'
2025-08-31T09:30:50,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz'
2025-08-31T09:30:50,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz'
2025-08-31T09:30:50,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz'
2025-08-31T09:30:50,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz'
2025-08-31T09:30:50,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz'
2025-08-31T09:30:50,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz'
2025-08-31T09:30:50,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz'
2025-08-31T09:30:50,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz'
2025-08-31T09:30:50,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz'
2025-08-31T09:30:50,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz'
2025-08-31T09:30:50,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz'
2025-08-31T09:30:50,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz'
2025-08-31T09:30:50,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz'
2025-08-31T09:30:50,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz'
2025-08-31T09:30:50,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz'
2025-08-31T09:30:50,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz'
2025-08-31T09:30:50,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz'
2025-08-31T09:30:50,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz'
2025-08-31T09:30:50,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz'
2025-08-31T09:30:50,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz'
2025-08-31T09:30:50,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz'
2025-08-31T09:30:50,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz'
2025-08-31T09:30:50,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz'
2025-08-31T09:30:50,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz'
2025-08-31T09:30:50,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz'
2025-08-31T09:30:50,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz'
2025-08-31T09:30:50,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz'
2025-08-31T09:30:50,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz'
2025-08-31T09:30:50,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz'
2025-08-31T09:30:50,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz'
2025-08-31T09:30:50,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz'
2025-08-31T09:30:50,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz'
2025-08-31T09:30:50,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz'
2025-08-31T09:30:50,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz'
2025-08-31T09:30:50,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz'
2025-08-31T09:30:50,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz'
2025-08-31T09:30:50,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz'
2025-08-31T09:30:50,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz'
2025-08-31T09:30:50,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz'
2025-08-31T09:30:50,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz'
2025-08-31T09:30:50,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz'
2025-08-31T09:30:50,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz'
2025-08-31T09:30:50,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz'
2025-08-31T09:30:50,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz'
2025-08-31T09:30:50,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz'
2025-08-31T09:30:50,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz'
2025-08-31T09:30:50,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz'
2025-08-31T09:30:50,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz'
2025-08-31T09:30:50,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz'
2025-08-31T09:30:50,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz'
2025-08-31T09:30:50,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz'
2025-08-31T09:30:50,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz'
2025-08-31T09:30:50,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz'
2025-08-31T09:30:50,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz'
2025-08-31T09:30:50,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz'
2025-08-31T09:30:50,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz'
2025-08-31T09:30:50,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz'
2025-08-31T09:30:50,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz'
2025-08-31T09:30:50,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz'
2025-08-31T09:30:50,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz'
2025-08-31T09:30:50,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz'
2025-08-31T09:30:50,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz'
2025-08-31T09:30:50,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz'
2025-08-31T09:30:50,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz'
2025-08-31T09:30:50,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz'
2025-08-31T09:30:50,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz'
2025-08-31T09:30:50,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz'
2025-08-31T09:30:50,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz'
2025-08-31T09:30:50,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz'
2025-08-31T09:30:50,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz'
2025-08-31T09:30:50,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz'
2025-08-31T09:30:50,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz'
2025-08-31T09:30:50,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz'
2025-08-31T09:30:50,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz'
2025-08-31T09:30:50,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz'
2025-08-31T09:30:50,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz'
2025-08-31T09:30:50,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz'
2025-08-31T09:30:50,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz'
2025-08-31T09:30:50,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz'
2025-08-31T09:30:50,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz'
2025-08-31T09:30:50,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz'
2025-08-31T09:30:50,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz'
2025-08-31T09:30:50,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz'
2025-08-31T09:30:50,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz'
2025-08-31T09:30:50,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz'
2025-08-31T09:30:50,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz'
2025-08-31T09:30:50,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz'
2025-08-31T09:30:50,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz'
2025-08-31T09:30:50,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz'
2025-08-31T09:30:50,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz'
2025-08-31T09:30:50,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts/struc.xyz'
2025-08-31T09:30:50,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz'
2025-08-31T09:30:50,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts/struc.xyz'
2025-08-31T09:30:50,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz'
2025-08-31T09:30:50,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts/struc.xyz'
2025-08-31T09:30:50,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz'
2025-08-31T09:30:50,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts/struc.xyz'
2025-08-31T09:30:50,546   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz'
2025-08-31T09:30:50,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts/struc.xyz'
2025-08-31T09:30:50,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz'
2025-08-31T09:30:50,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz'
2025-08-31T09:30:50,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts/struc.xyz'
2025-08-31T09:30:50,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz'
2025-08-31T09:30:50,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts/struc.xyz'
2025-08-31T09:30:50,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz'
2025-08-31T09:30:50,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts/struc.xyz'
2025-08-31T09:30:50,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz'
2025-08-31T09:30:50,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts/struc.xyz'
2025-08-31T09:30:50,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz'
2025-08-31T09:30:50,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts/struc.xyz'
2025-08-31T09:30:50,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz'
2025-08-31T09:30:50,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz'
2025-08-31T09:30:50,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts/struc.xyz'
2025-08-31T09:30:50,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz'
2025-08-31T09:30:50,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts/struc.xyz'
2025-08-31T09:30:50,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz'
2025-08-31T09:30:50,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts/struc.xyz'
2025-08-31T09:30:50,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz'
2025-08-31T09:30:50,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz'
2025-08-31T09:30:50,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz'
2025-08-31T09:30:50,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz'
2025-08-31T09:30:50,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz'
2025-08-31T09:30:50,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz'
2025-08-31T09:30:50,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz'
2025-08-31T09:30:50,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz'
2025-08-31T09:30:50,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz'
2025-08-31T09:30:50,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz'
2025-08-31T09:30:50,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz'
2025-08-31T09:30:50,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz'
2025-08-31T09:30:50,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz'
2025-08-31T09:30:50,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz'
2025-08-31T09:30:50,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz'
2025-08-31T09:30:50,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz'
2025-08-31T09:30:50,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz'
2025-08-31T09:30:50,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz'
2025-08-31T09:30:50,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz'
2025-08-31T09:30:50,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz'
2025-08-31T09:30:50,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz'
2025-08-31T09:30:50,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz'
2025-08-31T09:30:50,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz'
2025-08-31T09:30:50,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz'
2025-08-31T09:30:50,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz'
2025-08-31T09:30:50,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz'
2025-08-31T09:30:50,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz'
2025-08-31T09:30:50,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz'
2025-08-31T09:30:50,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz'
2025-08-31T09:30:50,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz'
2025-08-31T09:30:50,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz'
2025-08-31T09:30:50,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz'
2025-08-31T09:30:50,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz'
2025-08-31T09:30:50,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz'
2025-08-31T09:30:50,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz'
2025-08-31T09:30:50,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz'
2025-08-31T09:30:50,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz'
2025-08-31T09:30:50,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz'
2025-08-31T09:30:50,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz'
2025-08-31T09:30:50,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz'
2025-08-31T09:30:50,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz'
2025-08-31T09:30:50,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz'
2025-08-31T09:30:50,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz'
2025-08-31T09:30:50,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz'
2025-08-31T09:30:50,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz'
2025-08-31T09:30:50,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz'
2025-08-31T09:30:50,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz'
2025-08-31T09:30:50,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz'
2025-08-31T09:30:50,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz'
2025-08-31T09:30:50,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz'
2025-08-31T09:30:50,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz'
2025-08-31T09:30:50,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz'
2025-08-31T09:30:50,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz'
2025-08-31T09:30:50,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz'
2025-08-31T09:30:50,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz'
2025-08-31T09:30:50,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz'
2025-08-31T09:30:50,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz'
2025-08-31T09:30:50,680   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz'
2025-08-31T09:30:50,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz'
2025-08-31T09:30:50,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz'
2025-08-31T09:30:50,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz'
2025-08-31T09:30:50,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz'
2025-08-31T09:30:50,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz'
2025-08-31T09:30:50,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz'
2025-08-31T09:30:50,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz'
2025-08-31T09:30:50,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz'
2025-08-31T09:30:50,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz'
2025-08-31T09:30:50,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz'
2025-08-31T09:30:50,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz'
2025-08-31T09:30:50,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz'
2025-08-31T09:30:50,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz'
2025-08-31T09:30:50,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz'
2025-08-31T09:30:50,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz'
2025-08-31T09:30:50,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz'
2025-08-31T09:30:50,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz'
2025-08-31T09:30:50,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz'
2025-08-31T09:30:50,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz'
2025-08-31T09:30:50,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz'
2025-08-31T09:30:50,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz'
2025-08-31T09:30:50,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz'
2025-08-31T09:30:50,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz'
2025-08-31T09:30:50,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz'
2025-08-31T09:30:50,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz'
2025-08-31T09:30:50,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz'
2025-08-31T09:30:50,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz'
2025-08-31T09:30:50,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz'
2025-08-31T09:30:50,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz'
2025-08-31T09:30:50,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz'
2025-08-31T09:30:50,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz'
2025-08-31T09:30:50,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz'
2025-08-31T09:30:50,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz'
2025-08-31T09:30:50,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz'
2025-08-31T09:30:50,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz'
2025-08-31T09:30:50,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz'
2025-08-31T09:30:50,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz'
2025-08-31T09:30:50,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz'
2025-08-31T09:30:50,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz'
2025-08-31T09:30:50,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz'
2025-08-31T09:30:50,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz'
2025-08-31T09:30:50,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz'
2025-08-31T09:30:50,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz'
2025-08-31T09:30:50,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz'
2025-08-31T09:30:50,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz'
2025-08-31T09:30:50,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz'
2025-08-31T09:30:50,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz'
2025-08-31T09:30:50,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz'
2025-08-31T09:30:50,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz'
2025-08-31T09:30:50,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz'
2025-08-31T09:30:50,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz'
2025-08-31T09:30:50,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz'
2025-08-31T09:30:50,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz'
2025-08-31T09:30:50,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz'
2025-08-31T09:30:50,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz'
2025-08-31T09:30:50,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz'
2025-08-31T09:30:50,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz'
2025-08-31T09:30:50,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz'
2025-08-31T09:30:50,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz'
2025-08-31T09:30:50,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz'
2025-08-31T09:30:50,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz'
2025-08-31T09:30:50,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz'
2025-08-31T09:30:50,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz'
2025-08-31T09:30:50,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz'
2025-08-31T09:30:50,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz'
2025-08-31T09:30:50,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz'
2025-08-31T09:30:50,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz'
2025-08-31T09:30:50,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz'
2025-08-31T09:30:50,802   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz'
2025-08-31T09:30:50,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz'
2025-08-31T09:30:50,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz'
2025-08-31T09:30:50,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz'
2025-08-31T09:30:50,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz'
2025-08-31T09:30:50,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz'
2025-08-31T09:30:50,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz'
2025-08-31T09:30:50,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz'
2025-08-31T09:30:50,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz'
2025-08-31T09:30:50,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz'
2025-08-31T09:30:50,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz'
2025-08-31T09:30:50,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz'
2025-08-31T09:30:50,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz'
2025-08-31T09:30:50,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz'
2025-08-31T09:30:50,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz'
2025-08-31T09:30:50,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz'
2025-08-31T09:30:50,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz'
2025-08-31T09:30:50,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz'
2025-08-31T09:30:50,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz'
2025-08-31T09:30:50,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz'
2025-08-31T09:30:50,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz'
2025-08-31T09:30:50,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz'
2025-08-31T09:30:50,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz'
2025-08-31T09:30:50,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz'
2025-08-31T09:30:50,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz'
2025-08-31T09:30:50,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz'
2025-08-31T09:30:50,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz'
2025-08-31T09:30:50,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz'
2025-08-31T09:30:50,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz'
2025-08-31T09:30:50,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz'
2025-08-31T09:30:50,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz'
2025-08-31T09:30:50,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz'
2025-08-31T09:30:50,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz'
2025-08-31T09:30:50,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz'
2025-08-31T09:30:50,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz'
2025-08-31T09:30:50,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz'
2025-08-31T09:30:50,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz'
2025-08-31T09:30:50,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz'
2025-08-31T09:30:50,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz'
2025-08-31T09:30:50,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz'
2025-08-31T09:30:50,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz'
2025-08-31T09:30:50,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz'
2025-08-31T09:30:50,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz'
2025-08-31T09:30:50,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz'
2025-08-31T09:30:50,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz'
2025-08-31T09:30:50,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz'
2025-08-31T09:30:50,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz'
2025-08-31T09:30:50,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz'
2025-08-31T09:30:50,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz'
2025-08-31T09:30:50,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz'
2025-08-31T09:30:50,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz'
2025-08-31T09:30:50,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz'
2025-08-31T09:30:50,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz'
2025-08-31T09:30:50,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz'
2025-08-31T09:30:50,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz'
2025-08-31T09:30:50,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz'
2025-08-31T09:30:50,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz'
2025-08-31T09:30:50,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz'
2025-08-31T09:30:50,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz'
2025-08-31T09:30:50,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz'
2025-08-31T09:30:50,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz'
2025-08-31T09:30:50,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz'
2025-08-31T09:30:50,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz'
2025-08-31T09:30:50,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz'
2025-08-31T09:30:50,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz'
2025-08-31T09:30:50,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz'
2025-08-31T09:30:50,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz'
2025-08-31T09:30:50,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz'
2025-08-31T09:30:50,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz'
2025-08-31T09:30:50,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz'
2025-08-31T09:30:50,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz'
2025-08-31T09:30:50,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz'
2025-08-31T09:30:50,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz'
2025-08-31T09:30:50,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz'
2025-08-31T09:30:50,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz'
2025-08-31T09:30:50,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz'
2025-08-31T09:30:50,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz'
2025-08-31T09:30:50,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz'
2025-08-31T09:30:50,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz'
2025-08-31T09:30:50,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz'
2025-08-31T09:30:50,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz'
2025-08-31T09:30:50,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz'
2025-08-31T09:30:50,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz'
2025-08-31T09:30:50,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz'
2025-08-31T09:30:50,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz'
2025-08-31T09:30:50,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz'
2025-08-31T09:30:50,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz'
2025-08-31T09:30:50,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz'
2025-08-31T09:30:50,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz'
2025-08-31T09:30:50,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz'
2025-08-31T09:30:50,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz'
2025-08-31T09:30:50,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz'
2025-08-31T09:30:50,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz'
2025-08-31T09:30:50,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz'
2025-08-31T09:30:50,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz'
2025-08-31T09:30:50,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz'
2025-08-31T09:30:50,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz'
2025-08-31T09:30:50,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz'
2025-08-31T09:30:50,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz'
2025-08-31T09:30:50,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz'
2025-08-31T09:30:50,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz'
2025-08-31T09:30:50,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz'
2025-08-31T09:30:50,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz'
2025-08-31T09:30:50,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz'
2025-08-31T09:30:50,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz'
2025-08-31T09:30:50,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz'
2025-08-31T09:30:50,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz'
2025-08-31T09:30:50,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz'
2025-08-31T09:30:50,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz'
2025-08-31T09:30:50,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz'
2025-08-31T09:30:50,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz'
2025-08-31T09:30:50,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz'
2025-08-31T09:30:50,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz'
2025-08-31T09:30:51,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz'
2025-08-31T09:30:51,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz'
2025-08-31T09:30:51,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz'
2025-08-31T09:30:51,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz'
2025-08-31T09:30:51,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz'
2025-08-31T09:30:51,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz'
2025-08-31T09:30:51,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz'
2025-08-31T09:30:51,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz'
2025-08-31T09:30:51,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz'
2025-08-31T09:30:51,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz'
2025-08-31T09:30:51,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz'
2025-08-31T09:30:51,020   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz'
2025-08-31T09:30:51,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz'
2025-08-31T09:30:51,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz'
2025-08-31T09:30:51,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz'
2025-08-31T09:30:51,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz'
2025-08-31T09:30:51,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz'
2025-08-31T09:30:51,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz'
2025-08-31T09:30:51,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz'
2025-08-31T09:30:51,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz'
2025-08-31T09:30:51,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz'
2025-08-31T09:30:51,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz'
2025-08-31T09:30:51,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz'
2025-08-31T09:30:51,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz'
2025-08-31T09:30:51,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz'
2025-08-31T09:30:51,045   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz'
2025-08-31T09:30:51,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz'
2025-08-31T09:30:51,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz'
2025-08-31T09:30:51,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz'
2025-08-31T09:30:51,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz'
2025-08-31T09:30:51,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz'
2025-08-31T09:30:51,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz'
2025-08-31T09:30:51,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz'
2025-08-31T09:30:51,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz'
2025-08-31T09:30:51,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz'
2025-08-31T09:30:51,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz'
2025-08-31T09:30:51,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz'
2025-08-31T09:30:51,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz'
2025-08-31T09:30:51,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz'
2025-08-31T09:30:51,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz'
2025-08-31T09:30:51,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz'
2025-08-31T09:30:51,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz'
2025-08-31T09:30:51,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz'
2025-08-31T09:30:51,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz'
2025-08-31T09:30:51,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz'
2025-08-31T09:30:51,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz'
2025-08-31T09:30:51,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz'
2025-08-31T09:30:51,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz'
2025-08-31T09:30:51,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz'
2025-08-31T09:30:51,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz'
2025-08-31T09:30:51,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz'
2025-08-31T09:30:51,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz'
2025-08-31T09:30:51,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz'
2025-08-31T09:30:51,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz'
2025-08-31T09:30:51,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz'
2025-08-31T09:30:51,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz'
2025-08-31T09:30:51,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz'
2025-08-31T09:30:51,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz'
2025-08-31T09:30:51,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz'
2025-08-31T09:30:51,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz'
2025-08-31T09:30:51,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz'
2025-08-31T09:30:51,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz'
2025-08-31T09:30:51,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz'
2025-08-31T09:30:51,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz'
2025-08-31T09:30:51,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz'
2025-08-31T09:30:51,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz'
2025-08-31T09:30:51,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz'
2025-08-31T09:30:51,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz'
2025-08-31T09:30:51,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz'
2025-08-31T09:30:51,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz'
2025-08-31T09:30:51,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz'
2025-08-31T09:30:51,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz'
2025-08-31T09:30:51,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz'
2025-08-31T09:30:51,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz'
2025-08-31T09:30:51,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz'
2025-08-31T09:30:51,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz'
2025-08-31T09:30:51,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz'
2025-08-31T09:30:51,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz'
2025-08-31T09:30:51,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz'
2025-08-31T09:30:51,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz'
2025-08-31T09:30:51,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz'
2025-08-31T09:30:51,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz'
2025-08-31T09:30:51,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz'
2025-08-31T09:30:51,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz'
2025-08-31T09:30:51,150   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz'
2025-08-31T09:30:51,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz'
2025-08-31T09:30:51,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz'
2025-08-31T09:30:51,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz'
2025-08-31T09:30:51,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz'
2025-08-31T09:30:51,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz'
2025-08-31T09:30:51,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz'
2025-08-31T09:30:51,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz'
2025-08-31T09:30:51,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz'
2025-08-31T09:30:51,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz'
2025-08-31T09:30:51,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz'
2025-08-31T09:30:51,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz'
2025-08-31T09:30:51,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz'
2025-08-31T09:30:51,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz'
2025-08-31T09:30:51,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz'
2025-08-31T09:30:51,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz'
2025-08-31T09:30:51,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz'
2025-08-31T09:30:51,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz'
2025-08-31T09:30:51,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz'
2025-08-31T09:30:51,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz'
2025-08-31T09:30:51,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz'
2025-08-31T09:30:51,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz'
2025-08-31T09:30:51,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz'
2025-08-31T09:30:51,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz'
2025-08-31T09:30:51,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz'
2025-08-31T09:30:51,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz'
2025-08-31T09:30:51,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz'
2025-08-31T09:30:51,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz'
2025-08-31T09:30:51,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz'
2025-08-31T09:30:51,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz'
2025-08-31T09:30:51,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz'
2025-08-31T09:30:51,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz'
2025-08-31T09:30:51,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz'
2025-08-31T09:30:51,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz'
2025-08-31T09:30:51,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz'
2025-08-31T09:30:51,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz'
2025-08-31T09:30:51,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz'
2025-08-31T09:30:51,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz'
2025-08-31T09:30:51,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz'
2025-08-31T09:30:51,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz'
2025-08-31T09:30:51,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz'
2025-08-31T09:30:51,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz'
2025-08-31T09:30:51,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz'
2025-08-31T09:30:51,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz'
2025-08-31T09:30:51,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz'
2025-08-31T09:30:51,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz'
2025-08-31T09:30:51,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz'
2025-08-31T09:30:51,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz'
2025-08-31T09:30:51,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz'
2025-08-31T09:30:51,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz'
2025-08-31T09:30:51,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz'
2025-08-31T09:30:51,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz'
2025-08-31T09:30:51,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz'
2025-08-31T09:30:51,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz'
2025-08-31T09:30:51,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz'
2025-08-31T09:30:51,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz'
2025-08-31T09:30:51,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz'
2025-08-31T09:30:51,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz'
2025-08-31T09:30:51,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz'
2025-08-31T09:30:51,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz'
2025-08-31T09:30:51,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz'
2025-08-31T09:30:51,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz'
2025-08-31T09:30:51,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz'
2025-08-31T09:30:51,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz'
2025-08-31T09:30:51,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz'
2025-08-31T09:30:51,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz'
2025-08-31T09:30:51,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz'
2025-08-31T09:30:51,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz'
2025-08-31T09:30:51,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz'
2025-08-31T09:30:51,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz'
2025-08-31T09:30:51,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz'
2025-08-31T09:30:51,275   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz'
2025-08-31T09:30:51,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz'
2025-08-31T09:30:51,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz'
2025-08-31T09:30:51,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz'
2025-08-31T09:30:51,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz'
2025-08-31T09:30:51,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz'
2025-08-31T09:30:51,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz'
2025-08-31T09:30:51,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz'
2025-08-31T09:30:51,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz'
2025-08-31T09:30:51,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz'
2025-08-31T09:30:51,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz'
2025-08-31T09:30:51,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz'
2025-08-31T09:30:51,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz'
2025-08-31T09:30:51,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz'
2025-08-31T09:30:51,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz'
2025-08-31T09:30:51,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz'
2025-08-31T09:30:51,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz'
2025-08-31T09:30:51,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz'
2025-08-31T09:30:51,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz'
2025-08-31T09:30:51,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz'
2025-08-31T09:30:51,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz'
2025-08-31T09:30:51,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz'
2025-08-31T09:30:51,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz'
2025-08-31T09:30:51,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz'
2025-08-31T09:30:51,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz'
2025-08-31T09:30:51,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz'
2025-08-31T09:30:51,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz'
2025-08-31T09:30:51,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz'
2025-08-31T09:30:51,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz'
2025-08-31T09:30:51,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz'
2025-08-31T09:30:51,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz'
2025-08-31T09:30:51,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz'
2025-08-31T09:30:51,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz'
2025-08-31T09:30:51,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz'
2025-08-31T09:30:51,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz'
2025-08-31T09:30:51,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz'
2025-08-31T09:30:51,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz'
2025-08-31T09:30:51,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz'
2025-08-31T09:30:51,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz'
2025-08-31T09:30:51,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz'
2025-08-31T09:30:51,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz'
2025-08-31T09:30:51,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz'
2025-08-31T09:30:51,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz'
2025-08-31T09:30:51,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz'
2025-08-31T09:30:51,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz'
2025-08-31T09:30:51,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz'
2025-08-31T09:30:51,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz'
2025-08-31T09:30:51,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz'
2025-08-31T09:30:51,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz'
2025-08-31T09:30:51,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz'
2025-08-31T09:30:51,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz'
2025-08-31T09:30:51,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz'
2025-08-31T09:30:51,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz'
2025-08-31T09:30:51,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz'
2025-08-31T09:30:51,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz'
2025-08-31T09:30:51,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz'
2025-08-31T09:30:51,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz'
2025-08-31T09:30:51,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz'
2025-08-31T09:30:51,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz'
2025-08-31T09:30:51,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz'
2025-08-31T09:30:51,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz'
2025-08-31T09:30:51,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz'
2025-08-31T09:30:51,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz'
2025-08-31T09:30:51,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz'
2025-08-31T09:30:51,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz'
2025-08-31T09:30:51,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz'
2025-08-31T09:30:51,394   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz'
2025-08-31T09:30:51,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz'
2025-08-31T09:30:51,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz'
2025-08-31T09:30:51,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz'
2025-08-31T09:30:51,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz'
2025-08-31T09:30:51,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz'
2025-08-31T09:30:51,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz'
2025-08-31T09:30:51,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz'
2025-08-31T09:30:51,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz'
2025-08-31T09:30:51,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz'
2025-08-31T09:30:51,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz'
2025-08-31T09:30:51,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz'
2025-08-31T09:30:51,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz'
2025-08-31T09:30:51,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz'
2025-08-31T09:30:51,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz'
2025-08-31T09:30:51,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz'
2025-08-31T09:30:51,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz'
2025-08-31T09:30:51,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz'
2025-08-31T09:30:51,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz'
2025-08-31T09:30:51,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz'
2025-08-31T09:30:51,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz'
2025-08-31T09:30:51,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz'
2025-08-31T09:30:51,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz'
2025-08-31T09:30:51,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz'
2025-08-31T09:30:51,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz'
2025-08-31T09:30:51,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz'
2025-08-31T09:30:51,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz'
2025-08-31T09:30:51,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz'
2025-08-31T09:30:51,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz'
2025-08-31T09:30:51,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz'
2025-08-31T09:30:51,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz'
2025-08-31T09:30:51,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz'
2025-08-31T09:30:51,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz'
2025-08-31T09:30:51,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz'
2025-08-31T09:30:51,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz'
2025-08-31T09:30:51,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz'
2025-08-31T09:30:51,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz'
2025-08-31T09:30:51,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz'
2025-08-31T09:30:51,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz'
2025-08-31T09:30:51,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz'
2025-08-31T09:30:51,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz'
2025-08-31T09:30:51,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz'
2025-08-31T09:30:51,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz'
2025-08-31T09:30:51,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz'
2025-08-31T09:30:51,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz'
2025-08-31T09:30:51,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz'
2025-08-31T09:30:51,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz'
2025-08-31T09:30:51,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz'
2025-08-31T09:30:51,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz'
2025-08-31T09:30:51,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz'
2025-08-31T09:30:51,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz'
2025-08-31T09:30:51,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz'
2025-08-31T09:30:51,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz'
2025-08-31T09:30:51,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz'
2025-08-31T09:30:51,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz'
2025-08-31T09:30:51,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz'
2025-08-31T09:30:51,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz'
2025-08-31T09:30:51,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz'
2025-08-31T09:30:51,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz'
2025-08-31T09:30:51,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz'
2025-08-31T09:30:51,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz'
2025-08-31T09:30:51,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz'
2025-08-31T09:30:51,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz'
2025-08-31T09:30:51,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz'
2025-08-31T09:30:51,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz'
2025-08-31T09:30:51,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz'
2025-08-31T09:30:51,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz'
2025-08-31T09:30:51,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz'
2025-08-31T09:30:51,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz'
2025-08-31T09:30:51,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz'
2025-08-31T09:30:51,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz'
2025-08-31T09:30:51,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz'
2025-08-31T09:30:51,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz'
2025-08-31T09:30:51,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz'
2025-08-31T09:30:51,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz'
2025-08-31T09:30:51,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz'
2025-08-31T09:30:51,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz'
2025-08-31T09:30:51,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz'
2025-08-31T09:30:51,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz'
2025-08-31T09:30:51,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz'
2025-08-31T09:30:51,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz'
2025-08-31T09:30:51,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz'
2025-08-31T09:30:51,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz'
2025-08-31T09:30:51,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz'
2025-08-31T09:30:51,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz'
2025-08-31T09:30:51,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz'
2025-08-31T09:30:51,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz'
2025-08-31T09:30:51,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz'
2025-08-31T09:30:51,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz'
2025-08-31T09:30:51,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz'
2025-08-31T09:30:51,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz'
2025-08-31T09:30:51,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz'
2025-08-31T09:30:51,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz'
2025-08-31T09:30:51,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz'
2025-08-31T09:30:51,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz'
2025-08-31T09:30:51,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz'
2025-08-31T09:30:51,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz'
2025-08-31T09:30:51,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz'
2025-08-31T09:30:51,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz'
2025-08-31T09:30:51,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz'
2025-08-31T09:30:51,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz'
2025-08-31T09:30:51,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz'
2025-08-31T09:30:51,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz'
2025-08-31T09:30:51,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25/struc.xyz'
2025-08-31T09:30:51,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5/struc.xyz'
2025-08-31T09:30:51,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75/struc.xyz'
2025-08-31T09:30:51,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz'
2025-08-31T09:30:51,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz'
2025-08-31T09:30:51,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz'
2025-08-31T09:30:51,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz'
2025-08-31T09:30:51,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz'
2025-08-31T09:30:51,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz'
2025-08-31T09:30:51,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz'
2025-08-31T09:30:51,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz'
2025-08-31T09:30:51,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz'
2025-08-31T09:30:51,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz'
2025-08-31T09:30:51,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz'
2025-08-31T09:30:51,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz'
2025-08-31T09:30:51,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz'
2025-08-31T09:30:51,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz'
2025-08-31T09:30:51,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz'
2025-08-31T09:30:51,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz'
2025-08-31T09:30:51,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz'
2025-08-31T09:30:51,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz'
2025-08-31T09:30:51,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz'
2025-08-31T09:30:51,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz'
2025-08-31T09:30:51,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz'
2025-08-31T09:30:51,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz'
2025-08-31T09:30:51,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz'
2025-08-31T09:30:51,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz'
2025-08-31T09:30:51,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz'
2025-08-31T09:30:51,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz'
2025-08-31T09:30:51,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz'
2025-08-31T09:30:51,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz'
2025-08-31T09:30:51,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz'
2025-08-31T09:30:51,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz'
2025-08-31T09:30:51,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz'
2025-08-31T09:30:51,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz'
2025-08-31T09:30:51,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz'
2025-08-31T09:30:51,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz'
2025-08-31T09:30:51,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz'
2025-08-31T09:30:51,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz'
2025-08-31T09:30:51,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz'
2025-08-31T09:30:51,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:51,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz'
2025-08-31T09:30:51,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz'
2025-08-31T09:30:51,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz'
2025-08-31T09:30:51,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz'
2025-08-31T09:30:51,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz'
2025-08-31T09:30:51,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz'
2025-08-31T09:30:51,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz'
2025-08-31T09:30:51,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz'
2025-08-31T09:30:51,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz'
2025-08-31T09:30:51,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz'
2025-08-31T09:30:51,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz'
2025-08-31T09:30:51,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz'
2025-08-31T09:30:51,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz'
2025-08-31T09:30:51,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz'
2025-08-31T09:30:51,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz'
2025-08-31T09:30:51,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz'
2025-08-31T09:30:51,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz'
2025-08-31T09:30:51,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz'
2025-08-31T09:30:51,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz'
2025-08-31T09:30:51,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz'
2025-08-31T09:30:51,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz'
2025-08-31T09:30:51,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz'
2025-08-31T09:30:51,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz'
2025-08-31T09:30:51,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz'
2025-08-31T09:30:51,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz'
2025-08-31T09:30:51,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz'
2025-08-31T09:30:51,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz'
2025-08-31T09:30:51,680   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz'
2025-08-31T09:30:51,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz'
2025-08-31T09:30:51,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz'
2025-08-31T09:30:51,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz'
2025-08-31T09:30:51,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz'
2025-08-31T09:30:51,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz'
2025-08-31T09:30:51,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz'
2025-08-31T09:30:51,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz'
2025-08-31T09:30:51,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz'
2025-08-31T09:30:51,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz'
2025-08-31T09:30:51,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz'
2025-08-31T09:30:51,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz'
2025-08-31T09:30:51,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz'
2025-08-31T09:30:51,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz'
2025-08-31T09:30:51,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz'
2025-08-31T09:30:51,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz'
2025-08-31T09:30:51,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz'
2025-08-31T09:30:51,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz'
2025-08-31T09:30:51,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz'
2025-08-31T09:30:51,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz'
2025-08-31T09:30:51,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz'
2025-08-31T09:30:51,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz'
2025-08-31T09:30:51,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz'
2025-08-31T09:30:51,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz'
2025-08-31T09:30:51,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz'
2025-08-31T09:30:51,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz'
2025-08-31T09:30:51,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz'
2025-08-31T09:30:51,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz'
2025-08-31T09:30:51,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz'
2025-08-31T09:30:51,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz'
2025-08-31T09:30:51,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz'
2025-08-31T09:30:51,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz'
2025-08-31T09:30:51,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz'
2025-08-31T09:30:51,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz'
2025-08-31T09:30:51,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz'
2025-08-31T09:30:51,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz'
2025-08-31T09:30:51,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz'
2025-08-31T09:30:51,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz'
2025-08-31T09:30:51,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz'
2025-08-31T09:30:51,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz'
2025-08-31T09:30:51,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz'
2025-08-31T09:30:51,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz'
2025-08-31T09:30:51,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz'
2025-08-31T09:30:51,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz'
2025-08-31T09:30:51,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz'
2025-08-31T09:30:51,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz'
2025-08-31T09:30:51,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz'
2025-08-31T09:30:51,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz'
2025-08-31T09:30:51,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz'
2025-08-31T09:30:51,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz'
2025-08-31T09:30:51,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz'
2025-08-31T09:30:51,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz'
2025-08-31T09:30:51,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz'
2025-08-31T09:30:51,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz'
2025-08-31T09:30:51,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz'
2025-08-31T09:30:51,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz'
2025-08-31T09:30:51,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz'
2025-08-31T09:30:51,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz'
2025-08-31T09:30:51,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz'
2025-08-31T09:30:51,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz'
2025-08-31T09:30:51,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz'
2025-08-31T09:30:51,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz'
2025-08-31T09:30:51,802   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz'
2025-08-31T09:30:51,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz'
2025-08-31T09:30:51,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh/struc.xyz'
2025-08-31T09:30:51,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono/struc.xyz'
2025-08-31T09:30:51,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo/struc.xyz'
2025-08-31T09:30:51,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2/struc.xyz'
2025-08-31T09:30:51,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz'
2025-08-31T09:30:51,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz'
2025-08-31T09:30:51,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz'
2025-08-31T09:30:51,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz'
2025-08-31T09:30:51,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz'
2025-08-31T09:30:51,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz'
2025-08-31T09:30:51,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz'
2025-08-31T09:30:51,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz'
2025-08-31T09:30:51,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz'
2025-08-31T09:30:51,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz'
2025-08-31T09:30:51,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz'
2025-08-31T09:30:51,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz'
2025-08-31T09:30:51,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing/struc.xyz'
2025-08-31T09:30:51,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip/struc.xyz'
2025-08-31T09:30:51,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz'
2025-08-31T09:30:51,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz'
2025-08-31T09:30:51,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz'
2025-08-31T09:30:51,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz'
2025-08-31T09:30:51,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz'
2025-08-31T09:30:51,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz'
2025-08-31T09:30:51,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz'
2025-08-31T09:30:51,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz'
2025-08-31T09:30:51,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz'
2025-08-31T09:30:51,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz'
2025-08-31T09:30:51,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz'
2025-08-31T09:30:51,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz'
2025-08-31T09:30:51,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz'
2025-08-31T09:30:51,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz'
2025-08-31T09:30:51,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz'
2025-08-31T09:30:51,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz'
2025-08-31T09:30:51,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz'
2025-08-31T09:30:51,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz'
2025-08-31T09:30:51,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz'
2025-08-31T09:30:51,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz'
2025-08-31T09:30:51,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz'
2025-08-31T09:30:51,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz'
2025-08-31T09:30:51,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz'
2025-08-31T09:30:51,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz'
2025-08-31T09:30:51,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz'
2025-08-31T09:30:51,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz'
2025-08-31T09:30:51,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz'
2025-08-31T09:30:51,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz'
2025-08-31T09:30:51,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz'
2025-08-31T09:30:51,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz'
2025-08-31T09:30:51,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz'
2025-08-31T09:30:51,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz'
2025-08-31T09:30:51,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz'
2025-08-31T09:30:51,890   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz'
2025-08-31T09:30:51,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz'
2025-08-31T09:30:51,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz'
2025-08-31T09:30:51,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz'
2025-08-31T09:30:51,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz'
2025-08-31T09:30:51,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz'
2025-08-31T09:30:51,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz'
2025-08-31T09:30:51,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz'
2025-08-31T09:30:51,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz'
2025-08-31T09:30:51,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz'
2025-08-31T09:30:51,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz'
2025-08-31T09:30:51,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz'
2025-08-31T09:30:51,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz'
2025-08-31T09:30:51,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz'
2025-08-31T09:30:51,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz'
2025-08-31T09:30:51,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz'
2025-08-31T09:30:51,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz'
2025-08-31T09:30:51,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz'
2025-08-31T09:30:51,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz'
2025-08-31T09:30:51,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz'
2025-08-31T09:30:51,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz'
2025-08-31T09:30:51,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz'
2025-08-31T09:30:51,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz'
2025-08-31T09:30:51,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz'
2025-08-31T09:30:51,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz'
2025-08-31T09:30:51,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz'
2025-08-31T09:30:51,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz'
2025-08-31T09:30:51,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz'
2025-08-31T09:30:51,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz'
2025-08-31T09:30:51,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz'
2025-08-31T09:30:51,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz'
2025-08-31T09:30:51,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz'
2025-08-31T09:30:51,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz'
2025-08-31T09:30:51,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz'
2025-08-31T09:30:51,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz'
2025-08-31T09:30:51,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz'
2025-08-31T09:30:51,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz'
2025-08-31T09:30:51,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz'
2025-08-31T09:30:51,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz'
2025-08-31T09:30:51,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz'
2025-08-31T09:30:51,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz'
2025-08-31T09:30:51,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz'
2025-08-31T09:30:51,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz'
2025-08-31T09:30:51,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz'
2025-08-31T09:30:51,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz'
2025-08-31T09:30:51,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz'
2025-08-31T09:30:51,969   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz'
2025-08-31T09:30:51,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz'
2025-08-31T09:30:51,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz'
2025-08-31T09:30:51,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz'
2025-08-31T09:30:51,976   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz'
2025-08-31T09:30:51,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz'
2025-08-31T09:30:51,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz'
2025-08-31T09:30:51,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz'
2025-08-31T09:30:51,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz'
2025-08-31T09:30:51,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz'
2025-08-31T09:30:51,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz'
2025-08-31T09:30:51,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz'
2025-08-31T09:30:51,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz'
2025-08-31T09:30:51,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v/struc.xyz'
2025-08-31T09:30:51,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz'
2025-08-31T09:30:51,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz'
2025-08-31T09:30:51,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz'
2025-08-31T09:30:51,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz'
2025-08-31T09:30:52,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz'
2025-08-31T09:30:52,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz'
2025-08-31T09:30:52,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz'
2025-08-31T09:30:52,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz'
2025-08-31T09:30:52,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz'
2025-08-31T09:30:52,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz'
2025-08-31T09:30:52,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz'
2025-08-31T09:30:52,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz'
2025-08-31T09:30:52,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh/struc.xyz'
2025-08-31T09:30:52,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono/struc.xyz'
2025-08-31T09:30:52,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo/struc.xyz'
2025-08-31T09:30:52,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2/struc.xyz'
2025-08-31T09:30:52,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz'
2025-08-31T09:30:52,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz'
2025-08-31T09:30:52,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz'
2025-08-31T09:30:52,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz'
2025-08-31T09:30:52,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz'
2025-08-31T09:30:52,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz'
2025-08-31T09:30:52,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz'
2025-08-31T09:30:52,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz'
2025-08-31T09:30:52,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz'
2025-08-31T09:30:52,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz'
2025-08-31T09:30:52,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz'
2025-08-31T09:30:52,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz'
2025-08-31T09:30:52,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz'
2025-08-31T09:30:52,045   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz'
2025-08-31T09:30:52,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz'
2025-08-31T09:30:52,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz'
2025-08-31T09:30:52,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz'
2025-08-31T09:30:52,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz'
2025-08-31T09:30:52,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz'
2025-08-31T09:30:52,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz'
2025-08-31T09:30:52,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz'
2025-08-31T09:30:52,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz'
2025-08-31T09:30:52,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz'
2025-08-31T09:30:52,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz'
2025-08-31T09:30:52,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz'
2025-08-31T09:30:52,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz'
2025-08-31T09:30:52,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz'
2025-08-31T09:30:52,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz'
2025-08-31T09:30:52,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz'
2025-08-31T09:30:52,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz'
2025-08-31T09:30:52,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz'
2025-08-31T09:30:52,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz'
2025-08-31T09:30:52,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz'
2025-08-31T09:30:52,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz'
2025-08-31T09:30:52,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz'
2025-08-31T09:30:52,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz'
2025-08-31T09:30:52,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz'
2025-08-31T09:30:52,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz'
2025-08-31T09:30:52,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz'
2025-08-31T09:30:52,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz'
2025-08-31T09:30:52,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz'
2025-08-31T09:30:52,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz'
2025-08-31T09:30:52,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz'
2025-08-31T09:30:52,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz'
2025-08-31T09:30:52,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz'
2025-08-31T09:30:52,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz'
2025-08-31T09:30:52,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz'
2025-08-31T09:30:52,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz'
2025-08-31T09:30:52,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz'
2025-08-31T09:30:52,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz'
2025-08-31T09:30:52,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz'
2025-08-31T09:30:52,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz'
2025-08-31T09:30:52,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz'
2025-08-31T09:30:52,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz'
2025-08-31T09:30:52,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz'
2025-08-31T09:30:52,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz'
2025-08-31T09:30:52,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz'
2025-08-31T09:30:52,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz'
2025-08-31T09:30:52,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz'
2025-08-31T09:30:52,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz'
2025-08-31T09:30:52,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz'
2025-08-31T09:30:52,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz'
2025-08-31T09:30:52,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz'
2025-08-31T09:30:52,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz'
2025-08-31T09:30:52,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz'
2025-08-31T09:30:52,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz'
2025-08-31T09:30:52,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz'
2025-08-31T09:30:52,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz'
2025-08-31T09:30:52,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz'
2025-08-31T09:30:52,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz'
2025-08-31T09:30:52,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz'
2025-08-31T09:30:52,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz'
2025-08-31T09:30:52,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz'
2025-08-31T09:30:52,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz'
2025-08-31T09:30:52,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz'
2025-08-31T09:30:52,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz'
2025-08-31T09:30:52,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz'
2025-08-31T09:30:52,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz'
2025-08-31T09:30:52,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz'
2025-08-31T09:30:52,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz'
2025-08-31T09:30:52,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz'
2025-08-31T09:30:52,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz'
2025-08-31T09:30:52,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz'
2025-08-31T09:30:52,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz'
2025-08-31T09:30:52,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz'
2025-08-31T09:30:52,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz'
2025-08-31T09:30:52,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz'
2025-08-31T09:30:52,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz'
2025-08-31T09:30:52,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz'
2025-08-31T09:30:52,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-/struc.xyz'
2025-08-31T09:30:52,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-/struc.xyz'
2025-08-31T09:30:52,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+/struc.xyz'
2025-08-31T09:30:52,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz'
2025-08-31T09:30:52,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz'
2025-08-31T09:30:52,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz'
2025-08-31T09:30:52,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-/struc.xyz'
2025-08-31T09:30:52,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz'
2025-08-31T09:30:52,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz'
2025-08-31T09:30:52,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz'
2025-08-31T09:30:52,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-/struc.xyz'
2025-08-31T09:30:52,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+/struc.xyz'
2025-08-31T09:30:52,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz'
2025-08-31T09:30:52,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz'
2025-08-31T09:30:52,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz'
2025-08-31T09:30:52,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz'
2025-08-31T09:30:52,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz'
2025-08-31T09:30:52,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz'
2025-08-31T09:30:52,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz'
2025-08-31T09:30:52,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz'
2025-08-31T09:30:52,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz'
2025-08-31T09:30:52,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz'
2025-08-31T09:30:52,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz'
2025-08-31T09:30:52,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz'
2025-08-31T09:30:52,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz'
2025-08-31T09:30:52,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz'
2025-08-31T09:30:52,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz'
2025-08-31T09:30:52,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz'
2025-08-31T09:30:52,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz'
2025-08-31T09:30:52,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz'
2025-08-31T09:30:52,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz'
2025-08-31T09:30:52,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz'
2025-08-31T09:30:52,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz'
2025-08-31T09:30:52,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz'
2025-08-31T09:30:52,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz'
2025-08-31T09:30:52,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz'
2025-08-31T09:30:52,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz'
2025-08-31T09:30:52,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz'
2025-08-31T09:30:52,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz'
2025-08-31T09:30:52,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz'
2025-08-31T09:30:52,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz'
2025-08-31T09:30:52,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz'
2025-08-31T09:30:52,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz'
2025-08-31T09:30:52,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz'
2025-08-31T09:30:52,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz'
2025-08-31T09:30:52,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz'
2025-08-31T09:30:52,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz'
2025-08-31T09:30:52,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz'
2025-08-31T09:30:52,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz'
2025-08-31T09:30:52,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz'
2025-08-31T09:30:52,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz'
2025-08-31T09:30:52,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz'
2025-08-31T09:30:52,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz'
2025-08-31T09:30:52,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz'
2025-08-31T09:30:52,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz'
2025-08-31T09:30:52,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz'
2025-08-31T09:30:52,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz'
2025-08-31T09:30:52,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz'
2025-08-31T09:30:52,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz'
2025-08-31T09:30:52,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz'
2025-08-31T09:30:52,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz'
2025-08-31T09:30:52,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz'
2025-08-31T09:30:52,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz'
2025-08-31T09:30:52,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz'
2025-08-31T09:30:52,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz'
2025-08-31T09:30:52,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz'
2025-08-31T09:30:52,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz'
2025-08-31T09:30:52,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz'
2025-08-31T09:30:52,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz'
2025-08-31T09:30:52,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz'
2025-08-31T09:30:52,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz'
2025-08-31T09:30:52,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz'
2025-08-31T09:30:52,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz'
2025-08-31T09:30:52,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz'
2025-08-31T09:30:52,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz'
2025-08-31T09:30:52,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz'
2025-08-31T09:30:52,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz'
2025-08-31T09:30:52,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz'
2025-08-31T09:30:52,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz'
2025-08-31T09:30:52,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz'
2025-08-31T09:30:52,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz'
2025-08-31T09:30:52,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz'
2025-08-31T09:30:52,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz'
2025-08-31T09:30:52,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz'
2025-08-31T09:30:52,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz'
2025-08-31T09:30:52,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz'
2025-08-31T09:30:52,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz'
2025-08-31T09:30:52,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz'
2025-08-31T09:30:52,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz'
2025-08-31T09:30:52,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz'
2025-08-31T09:30:52,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz'
2025-08-31T09:30:52,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz'
2025-08-31T09:30:52,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz'
2025-08-31T09:30:52,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz'
2025-08-31T09:30:52,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz'
2025-08-31T09:30:52,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz'
2025-08-31T09:30:52,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz'
2025-08-31T09:30:52,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz'
2025-08-31T09:30:52,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz'
2025-08-31T09:30:52,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz'
2025-08-31T09:30:52,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz'
2025-08-31T09:30:52,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz'
2025-08-31T09:30:52,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz'
2025-08-31T09:30:52,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz'
2025-08-31T09:30:52,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz'
2025-08-31T09:30:52,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz'
2025-08-31T09:30:52,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz'
2025-08-31T09:30:52,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz'
2025-08-31T09:30:52,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz'
2025-08-31T09:30:52,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz'
2025-08-31T09:30:52,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz'
2025-08-31T09:30:52,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz'
2025-08-31T09:30:52,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz'
2025-08-31T09:30:52,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz'
2025-08-31T09:30:52,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2/struc.xyz'
2025-08-31T09:30:52,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz'
2025-08-31T09:30:52,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz'
2025-08-31T09:30:52,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz'
2025-08-31T09:30:52,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz'
2025-08-31T09:30:52,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz'
2025-08-31T09:30:52,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz'
2025-08-31T09:30:52,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz'
2025-08-31T09:30:52,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz'
2025-08-31T09:30:52,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz'
2025-08-31T09:30:52,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz'
2025-08-31T09:30:52,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz'
2025-08-31T09:30:52,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz'
2025-08-31T09:30:52,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz'
2025-08-31T09:30:52,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz'
2025-08-31T09:30:52,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz'
2025-08-31T09:30:52,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz'
2025-08-31T09:30:52,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz'
2025-08-31T09:30:52,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz'
2025-08-31T09:30:52,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz'
2025-08-31T09:30:52,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz'
2025-08-31T09:30:52,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz'
2025-08-31T09:30:52,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz'
2025-08-31T09:30:52,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz'
2025-08-31T09:30:52,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz'
2025-08-31T09:30:52,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz'
2025-08-31T09:30:52,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz'
2025-08-31T09:30:52,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz'
2025-08-31T09:30:52,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz'
2025-08-31T09:30:52,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz'
2025-08-31T09:30:52,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz'
2025-08-31T09:30:52,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz'
2025-08-31T09:30:52,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz'
2025-08-31T09:30:52,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz'
2025-08-31T09:30:52,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz'
2025-08-31T09:30:52,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz'
2025-08-31T09:30:52,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz'
2025-08-31T09:30:52,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz'
2025-08-31T09:30:52,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz'
2025-08-31T09:30:52,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz'
2025-08-31T09:30:52,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz'
2025-08-31T09:30:52,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz'
2025-08-31T09:30:52,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz'
2025-08-31T09:30:52,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz'
2025-08-31T09:30:52,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz'
2025-08-31T09:30:52,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz'
2025-08-31T09:30:52,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz'
2025-08-31T09:30:52,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz'
2025-08-31T09:30:52,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz'
2025-08-31T09:30:52,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz'
2025-08-31T09:30:52,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz'
2025-08-31T09:30:52,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz'
2025-08-31T09:30:52,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz'
2025-08-31T09:30:52,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz'
2025-08-31T09:30:52,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz'
2025-08-31T09:30:52,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz'
2025-08-31T09:30:52,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz'
2025-08-31T09:30:52,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz'
2025-08-31T09:30:52,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz'
2025-08-31T09:30:52,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz'
2025-08-31T09:30:52,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz'
2025-08-31T09:30:52,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz'
2025-08-31T09:30:52,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz'
2025-08-31T09:30:52,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz'
2025-08-31T09:30:52,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz'
2025-08-31T09:30:52,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz'
2025-08-31T09:30:52,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz'
2025-08-31T09:30:52,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz'
2025-08-31T09:30:52,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz'
2025-08-31T09:30:52,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz'
2025-08-31T09:30:52,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz'
2025-08-31T09:30:52,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz'
2025-08-31T09:30:52,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz'
2025-08-31T09:30:52,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz'
2025-08-31T09:30:52,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz'
2025-08-31T09:30:52,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz'
2025-08-31T09:30:52,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz'
2025-08-31T09:30:52,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz'
2025-08-31T09:30:52,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz'
2025-08-31T09:30:52,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz'
2025-08-31T09:30:52,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz'
2025-08-31T09:30:52,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz'
2025-08-31T09:30:52,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz'
2025-08-31T09:30:52,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz'
2025-08-31T09:30:52,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz'
2025-08-31T09:30:52,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz'
2025-08-31T09:30:52,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz'
2025-08-31T09:30:52,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz'
2025-08-31T09:30:52,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz'
2025-08-31T09:30:52,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz'
2025-08-31T09:30:52,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz'
2025-08-31T09:30:52,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz'
2025-08-31T09:30:52,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz'
2025-08-31T09:30:52,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz'
2025-08-31T09:30:52,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz'
2025-08-31T09:30:52,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz'
2025-08-31T09:30:52,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz'
2025-08-31T09:30:52,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz'
2025-08-31T09:30:52,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz'
2025-08-31T09:30:52,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz'
2025-08-31T09:30:52,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz'
2025-08-31T09:30:52,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz'
2025-08-31T09:30:52,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz'
2025-08-31T09:30:52,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz'
2025-08-31T09:30:52,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz'
2025-08-31T09:30:52,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz'
2025-08-31T09:30:52,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz'
2025-08-31T09:30:52,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz'
2025-08-31T09:30:52,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz'
2025-08-31T09:30:52,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz'
2025-08-31T09:30:52,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz'
2025-08-31T09:30:52,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz'
2025-08-31T09:30:52,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz'
2025-08-31T09:30:52,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz'
2025-08-31T09:30:52,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz'
2025-08-31T09:30:52,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz'
2025-08-31T09:30:52,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz'
2025-08-31T09:30:52,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz'
2025-08-31T09:30:52,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz'
2025-08-31T09:30:52,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz'
2025-08-31T09:30:52,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz'
2025-08-31T09:30:52,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz'
2025-08-31T09:30:52,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz'
2025-08-31T09:30:52,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz'
2025-08-31T09:30:52,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz'
2025-08-31T09:30:52,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz'
2025-08-31T09:30:52,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz'
2025-08-31T09:30:52,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz'
2025-08-31T09:30:52,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz'
2025-08-31T09:30:52,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz'
2025-08-31T09:30:52,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz'
2025-08-31T09:30:52,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz'
2025-08-31T09:30:52,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz'
2025-08-31T09:30:52,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz'
2025-08-31T09:30:52,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz'
2025-08-31T09:30:52,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz'
2025-08-31T09:30:52,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz'
2025-08-31T09:30:52,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz'
2025-08-31T09:30:52,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz'
2025-08-31T09:30:52,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz'
2025-08-31T09:30:52,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz'
2025-08-31T09:30:52,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz'
2025-08-31T09:30:52,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz'
2025-08-31T09:30:52,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz'
2025-08-31T09:30:52,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz'
2025-08-31T09:30:52,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz'
2025-08-31T09:30:52,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz'
2025-08-31T09:30:52,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz'
2025-08-31T09:30:52,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz'
2025-08-31T09:30:52,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz'
2025-08-31T09:30:52,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz'
2025-08-31T09:30:52,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz'
2025-08-31T09:30:52,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz'
2025-08-31T09:30:52,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz'
2025-08-31T09:30:52,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz'
2025-08-31T09:30:52,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz'
2025-08-31T09:30:52,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz'
2025-08-31T09:30:52,678   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz'
2025-08-31T09:30:52,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz'
2025-08-31T09:30:52,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz'
2025-08-31T09:30:52,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz'
2025-08-31T09:30:52,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz'
2025-08-31T09:30:52,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz'
2025-08-31T09:30:52,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz'
2025-08-31T09:30:52,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz'
2025-08-31T09:30:52,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz'
2025-08-31T09:30:52,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz'
2025-08-31T09:30:52,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz'
2025-08-31T09:30:52,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz'
2025-08-31T09:30:52,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz'
2025-08-31T09:30:52,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz'
2025-08-31T09:30:52,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz'
2025-08-31T09:30:52,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz'
2025-08-31T09:30:52,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz'
2025-08-31T09:30:52,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz'
2025-08-31T09:30:52,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz'
2025-08-31T09:30:52,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz'
2025-08-31T09:30:52,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz'
2025-08-31T09:30:52,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz'
2025-08-31T09:30:52,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz'
2025-08-31T09:30:52,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz'
2025-08-31T09:30:52,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz'
2025-08-31T09:30:52,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz'
2025-08-31T09:30:52,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz'
2025-08-31T09:30:52,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz'
2025-08-31T09:30:52,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz'
2025-08-31T09:30:52,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz'
2025-08-31T09:30:52,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz'
2025-08-31T09:30:52,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz'
2025-08-31T09:30:52,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz'
2025-08-31T09:30:52,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz'
2025-08-31T09:30:52,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz'
2025-08-31T09:30:52,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz'
2025-08-31T09:30:52,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz'
2025-08-31T09:30:52,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz'
2025-08-31T09:30:52,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz'
2025-08-31T09:30:52,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz'
2025-08-31T09:30:52,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz'
2025-08-31T09:30:52,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz'
2025-08-31T09:30:52,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz'
2025-08-31T09:30:52,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz'
2025-08-31T09:30:52,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz'
2025-08-31T09:30:52,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz'
2025-08-31T09:30:52,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:52,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:52,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz'
2025-08-31T09:30:52,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz'
2025-08-31T09:30:52,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz'
2025-08-31T09:30:52,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz'
2025-08-31T09:30:52,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz'
2025-08-31T09:30:52,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz'
2025-08-31T09:30:52,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz'
2025-08-31T09:30:52,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz'
2025-08-31T09:30:52,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz'
2025-08-31T09:30:52,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz'
2025-08-31T09:30:52,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz'
2025-08-31T09:30:52,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz'
2025-08-31T09:30:52,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz'
2025-08-31T09:30:52,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz'
2025-08-31T09:30:52,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz'
2025-08-31T09:30:52,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz'
2025-08-31T09:30:52,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz'
2025-08-31T09:30:52,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz'
2025-08-31T09:30:52,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz'
2025-08-31T09:30:52,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz'
2025-08-31T09:30:52,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz'
2025-08-31T09:30:52,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz'
2025-08-31T09:30:52,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz'
2025-08-31T09:30:52,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz'
2025-08-31T09:30:52,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz'
2025-08-31T09:30:52,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz'
2025-08-31T09:30:52,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz'
2025-08-31T09:30:52,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz'
2025-08-31T09:30:52,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz'
2025-08-31T09:30:52,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz'
2025-08-31T09:30:52,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz'
2025-08-31T09:30:52,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz'
2025-08-31T09:30:52,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz'
2025-08-31T09:30:52,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz'
2025-08-31T09:30:52,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz'
2025-08-31T09:30:52,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz'
2025-08-31T09:30:52,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz'
2025-08-31T09:30:52,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz'
2025-08-31T09:30:52,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz'
2025-08-31T09:30:52,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz'
2025-08-31T09:30:52,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz'
2025-08-31T09:30:52,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz'
2025-08-31T09:30:52,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz'
2025-08-31T09:30:52,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz'
2025-08-31T09:30:52,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz'
2025-08-31T09:30:52,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz'
2025-08-31T09:30:52,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz'
2025-08-31T09:30:52,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz'
2025-08-31T09:30:52,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz'
2025-08-31T09:30:52,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz'
2025-08-31T09:30:52,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz'
2025-08-31T09:30:52,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz'
2025-08-31T09:30:52,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz'
2025-08-31T09:30:52,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz'
2025-08-31T09:30:52,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz'
2025-08-31T09:30:52,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz'
2025-08-31T09:30:52,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz'
2025-08-31T09:30:52,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz'
2025-08-31T09:30:52,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz'
2025-08-31T09:30:52,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz'
2025-08-31T09:30:52,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz'
2025-08-31T09:30:52,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz'
2025-08-31T09:30:52,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz'
2025-08-31T09:30:52,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz'
2025-08-31T09:30:52,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz'
2025-08-31T09:30:52,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz'
2025-08-31T09:30:52,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz'
2025-08-31T09:30:52,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz'
2025-08-31T09:30:52,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz'
2025-08-31T09:30:52,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz'
2025-08-31T09:30:52,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz'
2025-08-31T09:30:52,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz'
2025-08-31T09:30:52,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz'
2025-08-31T09:30:52,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz'
2025-08-31T09:30:52,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz'
2025-08-31T09:30:52,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz'
2025-08-31T09:30:52,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz'
2025-08-31T09:30:52,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz'
2025-08-31T09:30:52,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz'
2025-08-31T09:30:52,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz'
2025-08-31T09:30:52,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz'
2025-08-31T09:30:52,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz'
2025-08-31T09:30:52,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz'
2025-08-31T09:30:52,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz'
2025-08-31T09:30:52,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:52,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:52,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz'
2025-08-31T09:30:52,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz'
2025-08-31T09:30:52,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz'
2025-08-31T09:30:52,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz'
2025-08-31T09:30:52,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz'
2025-08-31T09:30:52,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz'
2025-08-31T09:30:52,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz'
2025-08-31T09:30:52,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz'
2025-08-31T09:30:52,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz'
2025-08-31T09:30:52,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz'
2025-08-31T09:30:52,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz'
2025-08-31T09:30:52,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz'
2025-08-31T09:30:52,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz'
2025-08-31T09:30:52,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz'
2025-08-31T09:30:52,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz'
2025-08-31T09:30:52,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz'
2025-08-31T09:30:52,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz'
2025-08-31T09:30:52,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz'
2025-08-31T09:30:52,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz'
2025-08-31T09:30:52,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz'
2025-08-31T09:30:52,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz'
2025-08-31T09:30:52,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz'
2025-08-31T09:30:52,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz'
2025-08-31T09:30:52,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz'
2025-08-31T09:30:52,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz'
2025-08-31T09:30:52,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz'
2025-08-31T09:30:52,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz'
2025-08-31T09:30:52,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz'
2025-08-31T09:30:52,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz'
2025-08-31T09:30:52,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz'
2025-08-31T09:30:52,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz'
2025-08-31T09:30:52,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz'
2025-08-31T09:30:52,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz'
2025-08-31T09:30:52,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz'
2025-08-31T09:30:52,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz'
2025-08-31T09:30:52,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz'
2025-08-31T09:30:52,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz'
2025-08-31T09:30:52,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz'
2025-08-31T09:30:52,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz'
2025-08-31T09:30:52,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz'
2025-08-31T09:30:52,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz'
2025-08-31T09:30:52,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz'
2025-08-31T09:30:52,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz'
2025-08-31T09:30:52,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz'
2025-08-31T09:30:52,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz'
2025-08-31T09:30:52,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz'
2025-08-31T09:30:52,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz'
2025-08-31T09:30:52,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz'
2025-08-31T09:30:52,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz'
2025-08-31T09:30:52,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz'
2025-08-31T09:30:52,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz'
2025-08-31T09:30:52,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz'
2025-08-31T09:30:52,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz'
2025-08-31T09:30:53,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz'
2025-08-31T09:30:53,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz'
2025-08-31T09:30:53,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz'
2025-08-31T09:30:53,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz'
2025-08-31T09:30:53,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz'
2025-08-31T09:30:53,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz'
2025-08-31T09:30:53,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz'
2025-08-31T09:30:53,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz'
2025-08-31T09:30:53,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz'
2025-08-31T09:30:53,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz'
2025-08-31T09:30:53,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz'
2025-08-31T09:30:53,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz'
2025-08-31T09:30:53,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz'
2025-08-31T09:30:53,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz'
2025-08-31T09:30:53,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz'
2025-08-31T09:30:53,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz'
2025-08-31T09:30:53,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz'
2025-08-31T09:30:53,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz'
2025-08-31T09:30:53,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz'
2025-08-31T09:30:53,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz'
2025-08-31T09:30:53,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz'
2025-08-31T09:30:53,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz'
2025-08-31T09:30:53,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz'
2025-08-31T09:30:53,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz'
2025-08-31T09:30:53,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz'
2025-08-31T09:30:53,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz'
2025-08-31T09:30:53,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz'
2025-08-31T09:30:53,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz'
2025-08-31T09:30:53,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz'
2025-08-31T09:30:53,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz'
2025-08-31T09:30:53,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz'
2025-08-31T09:30:53,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz'
2025-08-31T09:30:53,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz'
2025-08-31T09:30:53,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz'
2025-08-31T09:30:53,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz'
2025-08-31T09:30:53,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz'
2025-08-31T09:30:53,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz'
2025-08-31T09:30:53,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz'
2025-08-31T09:30:53,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz'
2025-08-31T09:30:53,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz'
2025-08-31T09:30:53,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz'
2025-08-31T09:30:53,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz'
2025-08-31T09:30:53,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz'
2025-08-31T09:30:53,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz'
2025-08-31T09:30:53,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz'
2025-08-31T09:30:53,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz'
2025-08-31T09:30:53,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz'
2025-08-31T09:30:53,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz'
2025-08-31T09:30:53,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz'
2025-08-31T09:30:53,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz'
2025-08-31T09:30:53,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz'
2025-08-31T09:30:53,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz'
2025-08-31T09:30:53,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz'
2025-08-31T09:30:53,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz'
2025-08-31T09:30:53,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz'
2025-08-31T09:30:53,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz'
2025-08-31T09:30:53,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz'
2025-08-31T09:30:53,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz'
2025-08-31T09:30:53,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz'
2025-08-31T09:30:53,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz'
2025-08-31T09:30:53,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz'
2025-08-31T09:30:53,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz'
2025-08-31T09:30:53,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz'
2025-08-31T09:30:53,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz'
2025-08-31T09:30:53,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz'
2025-08-31T09:30:53,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz'
2025-08-31T09:30:53,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz'
2025-08-31T09:30:53,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:53,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz'
2025-08-31T09:30:53,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz'
2025-08-31T09:30:53,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz'
2025-08-31T09:30:53,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz'
2025-08-31T09:30:53,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz'
2025-08-31T09:30:53,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz'
2025-08-31T09:30:53,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz'
2025-08-31T09:30:53,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz'
2025-08-31T09:30:53,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz'
2025-08-31T09:30:53,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz'
2025-08-31T09:30:53,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz'
2025-08-31T09:30:53,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz'
2025-08-31T09:30:53,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz'
2025-08-31T09:30:53,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz'
2025-08-31T09:30:53,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz'
2025-08-31T09:30:53,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz'
2025-08-31T09:30:53,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz'
2025-08-31T09:30:53,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz'
2025-08-31T09:30:53,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz'
2025-08-31T09:30:53,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz'
2025-08-31T09:30:53,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz'
2025-08-31T09:30:53,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz'
2025-08-31T09:30:53,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz'
2025-08-31T09:30:53,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz'
2025-08-31T09:30:53,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz'
2025-08-31T09:30:53,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz'
2025-08-31T09:30:53,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz'
2025-08-31T09:30:53,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz'
2025-08-31T09:30:53,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz'
2025-08-31T09:30:53,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz'
2025-08-31T09:30:53,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz'
2025-08-31T09:30:53,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz'
2025-08-31T09:30:53,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz'
2025-08-31T09:30:53,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz'
2025-08-31T09:30:53,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz'
2025-08-31T09:30:53,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz'
2025-08-31T09:30:53,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz'
2025-08-31T09:30:53,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz'
2025-08-31T09:30:53,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz'
2025-08-31T09:30:53,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz'
2025-08-31T09:30:53,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz'
2025-08-31T09:30:53,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz'
2025-08-31T09:30:53,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz'
2025-08-31T09:30:53,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz'
2025-08-31T09:30:53,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz'
2025-08-31T09:30:53,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz'
2025-08-31T09:30:53,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz'
2025-08-31T09:30:53,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz'
2025-08-31T09:30:53,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz'
2025-08-31T09:30:53,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz'
2025-08-31T09:30:53,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz'
2025-08-31T09:30:53,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz'
2025-08-31T09:30:53,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz'
2025-08-31T09:30:53,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz'
2025-08-31T09:30:53,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz'
2025-08-31T09:30:53,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz'
2025-08-31T09:30:53,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz'
2025-08-31T09:30:53,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz'
2025-08-31T09:30:53,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz'
2025-08-31T09:30:53,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz'
2025-08-31T09:30:53,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz'
2025-08-31T09:30:53,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz'
2025-08-31T09:30:53,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz'
2025-08-31T09:30:53,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz'
2025-08-31T09:30:53,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz'
2025-08-31T09:30:53,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz'
2025-08-31T09:30:53,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz'
2025-08-31T09:30:53,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz'
2025-08-31T09:30:53,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz'
2025-08-31T09:30:53,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz'
2025-08-31T09:30:53,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz'
2025-08-31T09:30:53,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz'
2025-08-31T09:30:53,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz'
2025-08-31T09:30:53,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz'
2025-08-31T09:30:53,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz'
2025-08-31T09:30:53,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz'
2025-08-31T09:30:53,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz'
2025-08-31T09:30:53,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz'
2025-08-31T09:30:53,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz'
2025-08-31T09:30:53,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz'
2025-08-31T09:30:53,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz'
2025-08-31T09:30:53,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz'
2025-08-31T09:30:53,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz'
2025-08-31T09:30:53,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz'
2025-08-31T09:30:53,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz'
2025-08-31T09:30:53,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz'
2025-08-31T09:30:53,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz'
2025-08-31T09:30:53,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz'
2025-08-31T09:30:53,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz'
2025-08-31T09:30:53,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz'
2025-08-31T09:30:53,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz'
2025-08-31T09:30:53,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz'
2025-08-31T09:30:53,288   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz'
2025-08-31T09:30:53,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz'
2025-08-31T09:30:53,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz'
2025-08-31T09:30:53,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz'
2025-08-31T09:30:53,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz'
2025-08-31T09:30:53,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz'
2025-08-31T09:30:53,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz'
2025-08-31T09:30:53,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz'
2025-08-31T09:30:53,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz'
2025-08-31T09:30:53,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz'
2025-08-31T09:30:53,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz'
2025-08-31T09:30:53,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz'
2025-08-31T09:30:53,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz'
2025-08-31T09:30:53,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz'
2025-08-31T09:30:53,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz'
2025-08-31T09:30:53,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz'
2025-08-31T09:30:53,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz'
2025-08-31T09:30:53,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz'
2025-08-31T09:30:53,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz'
2025-08-31T09:30:53,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz'
2025-08-31T09:30:53,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz'
2025-08-31T09:30:53,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz'
2025-08-31T09:30:53,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz'
2025-08-31T09:30:53,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz'
2025-08-31T09:30:53,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz'
2025-08-31T09:30:53,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz'
2025-08-31T09:30:53,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz'
2025-08-31T09:30:53,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz'
2025-08-31T09:30:53,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz'
2025-08-31T09:30:53,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz'
2025-08-31T09:30:53,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz'
2025-08-31T09:30:53,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz'
2025-08-31T09:30:53,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz'
2025-08-31T09:30:53,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz'
2025-08-31T09:30:53,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz'
2025-08-31T09:30:53,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz'
2025-08-31T09:30:53,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz'
2025-08-31T09:30:53,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz'
2025-08-31T09:30:53,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz'
2025-08-31T09:30:53,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz'
2025-08-31T09:30:53,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz'
2025-08-31T09:30:53,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz'
2025-08-31T09:30:53,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz'
2025-08-31T09:30:53,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz'
2025-08-31T09:30:53,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz'
2025-08-31T09:30:53,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz'
2025-08-31T09:30:53,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz'
2025-08-31T09:30:53,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz'
2025-08-31T09:30:53,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz'
2025-08-31T09:30:53,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz'
2025-08-31T09:30:53,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz'
2025-08-31T09:30:53,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz'
2025-08-31T09:30:53,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz'
2025-08-31T09:30:53,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz'
2025-08-31T09:30:53,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz'
2025-08-31T09:30:53,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz'
2025-08-31T09:30:53,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz'
2025-08-31T09:30:53,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz'
2025-08-31T09:30:53,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz'
2025-08-31T09:30:53,394   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz'
2025-08-31T09:30:53,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz'
2025-08-31T09:30:53,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz'
2025-08-31T09:30:53,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz'
2025-08-31T09:30:53,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz'
2025-08-31T09:30:53,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz'
2025-08-31T09:30:53,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz'
2025-08-31T09:30:53,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz'
2025-08-31T09:30:53,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz'
2025-08-31T09:30:53,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz'
2025-08-31T09:30:53,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz'
2025-08-31T09:30:53,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz'
2025-08-31T09:30:53,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz'
2025-08-31T09:30:53,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz'
2025-08-31T09:30:53,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz'
2025-08-31T09:30:53,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz'
2025-08-31T09:30:53,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz'
2025-08-31T09:30:53,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz'
2025-08-31T09:30:53,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz'
2025-08-31T09:30:53,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz'
2025-08-31T09:30:53,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz'
2025-08-31T09:30:53,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz'
2025-08-31T09:30:53,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz'
2025-08-31T09:30:53,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz'
2025-08-31T09:30:53,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz'
2025-08-31T09:30:53,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz'
2025-08-31T09:30:53,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz'
2025-08-31T09:30:53,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz'
2025-08-31T09:30:53,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz'
2025-08-31T09:30:53,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz'
2025-08-31T09:30:53,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz'
2025-08-31T09:30:53,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz'
2025-08-31T09:30:53,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz'
2025-08-31T09:30:53,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz'
2025-08-31T09:30:53,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz'
2025-08-31T09:30:53,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz'
2025-08-31T09:30:53,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz'
2025-08-31T09:30:53,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz'
2025-08-31T09:30:53,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz'
2025-08-31T09:30:53,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz'
2025-08-31T09:30:53,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz'
2025-08-31T09:30:53,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz'
2025-08-31T09:30:53,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz'
2025-08-31T09:30:53,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz'
2025-08-31T09:30:53,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz'
2025-08-31T09:30:53,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz'
2025-08-31T09:30:53,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz'
2025-08-31T09:30:53,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz'
2025-08-31T09:30:53,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz'
2025-08-31T09:30:53,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz'
2025-08-31T09:30:53,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz'
2025-08-31T09:30:53,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz'
2025-08-31T09:30:53,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz'
2025-08-31T09:30:53,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz'
2025-08-31T09:30:53,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz'
2025-08-31T09:30:53,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz'
2025-08-31T09:30:53,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz'
2025-08-31T09:30:53,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz'
2025-08-31T09:30:53,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz'
2025-08-31T09:30:53,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz'
2025-08-31T09:30:53,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz'
2025-08-31T09:30:53,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz'
2025-08-31T09:30:53,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz'
2025-08-31T09:30:53,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz'
2025-08-31T09:30:53,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz'
2025-08-31T09:30:53,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz'
2025-08-31T09:30:53,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz'
2025-08-31T09:30:53,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz'
2025-08-31T09:30:53,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz'
2025-08-31T09:30:53,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz'
2025-08-31T09:30:53,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz'
2025-08-31T09:30:53,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz'
2025-08-31T09:30:53,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz'
2025-08-31T09:30:53,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz'
2025-08-31T09:30:53,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz'
2025-08-31T09:30:53,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz'
2025-08-31T09:30:53,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz'
2025-08-31T09:30:53,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz'
2025-08-31T09:30:53,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz'
2025-08-31T09:30:53,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz'
2025-08-31T09:30:53,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz'
2025-08-31T09:30:53,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz'
2025-08-31T09:30:53,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz'
2025-08-31T09:30:53,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz'
2025-08-31T09:30:53,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz'
2025-08-31T09:30:53,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz'
2025-08-31T09:30:53,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz'
2025-08-31T09:30:53,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz'
2025-08-31T09:30:53,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz'
2025-08-31T09:30:53,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz'
2025-08-31T09:30:53,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz'
2025-08-31T09:30:53,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz'
2025-08-31T09:30:53,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz'
2025-08-31T09:30:53,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz'
2025-08-31T09:30:53,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz'
2025-08-31T09:30:53,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz'
2025-08-31T09:30:53,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz'
2025-08-31T09:30:53,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz'
2025-08-31T09:30:53,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz'
2025-08-31T09:30:53,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz'
2025-08-31T09:30:53,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz'
2025-08-31T09:30:53,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz'
2025-08-31T09:30:53,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz'
2025-08-31T09:30:53,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz'
2025-08-31T09:30:53,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add/struc.xyz'
2025-08-31T09:30:53,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add/struc.xyz'
2025-08-31T09:30:53,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz'
2025-08-31T09:30:53,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz'
2025-08-31T09:30:53,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz'
2025-08-31T09:30:53,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz'
2025-08-31T09:30:53,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz'
2025-08-31T09:30:53,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz'
2025-08-31T09:30:53,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz'
2025-08-31T09:30:53,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz'
2025-08-31T09:30:53,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz'
2025-08-31T09:30:53,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz'
2025-08-31T09:30:53,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz'
2025-08-31T09:30:53,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz'
2025-08-31T09:30:53,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz'
2025-08-31T09:30:53,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz'
2025-08-31T09:30:53,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz'
2025-08-31T09:30:53,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz'
2025-08-31T09:30:53,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz'
2025-08-31T09:30:53,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz'
2025-08-31T09:30:53,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz'
2025-08-31T09:30:53,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz'
2025-08-31T09:30:53,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz'
2025-08-31T09:30:53,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz'
2025-08-31T09:30:53,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz'
2025-08-31T09:30:53,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz'
2025-08-31T09:30:53,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz'
2025-08-31T09:30:53,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz'
2025-08-31T09:30:53,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz'
2025-08-31T09:30:53,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz'
2025-08-31T09:30:53,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz'
2025-08-31T09:30:53,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz'
2025-08-31T09:30:53,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz'
2025-08-31T09:30:53,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz'
2025-08-31T09:30:53,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz'
2025-08-31T09:30:53,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz'
2025-08-31T09:30:53,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz'
2025-08-31T09:30:53,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz'
2025-08-31T09:30:53,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz'
2025-08-31T09:30:53,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz'
2025-08-31T09:30:53,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz'
2025-08-31T09:30:53,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz'
2025-08-31T09:30:53,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz'
2025-08-31T09:30:53,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz'
2025-08-31T09:30:53,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz'
2025-08-31T09:30:53,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz'
2025-08-31T09:30:53,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz'
2025-08-31T09:30:53,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz'
2025-08-31T09:30:53,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz'
2025-08-31T09:30:53,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz'
2025-08-31T09:30:53,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz'
2025-08-31T09:30:53,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz'
2025-08-31T09:30:53,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz'
2025-08-31T09:30:53,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz'
2025-08-31T09:30:53,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz'
2025-08-31T09:30:53,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz'
2025-08-31T09:30:53,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz'
2025-08-31T09:30:53,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz'
2025-08-31T09:30:53,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz'
2025-08-31T09:30:53,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz'
2025-08-31T09:30:53,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz'
2025-08-31T09:30:53,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz'
2025-08-31T09:30:53,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz'
2025-08-31T09:30:53,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz'
2025-08-31T09:30:53,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz'
2025-08-31T09:30:53,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz'
2025-08-31T09:30:53,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz'
2025-08-31T09:30:53,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz'
2025-08-31T09:30:53,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz'
2025-08-31T09:30:53,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz'
2025-08-31T09:30:53,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz'
2025-08-31T09:30:53,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz'
2025-08-31T09:30:53,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz'
2025-08-31T09:30:53,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz'
2025-08-31T09:30:53,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz'
2025-08-31T09:30:53,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2/struc.xyz'
2025-08-31T09:30:53,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2/struc.xyz'
2025-08-31T09:30:53,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz'
2025-08-31T09:30:53,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz'
2025-08-31T09:30:53,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene/struc.xyz'
2025-08-31T09:30:53,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz'
2025-08-31T09:30:53,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz'
2025-08-31T09:30:53,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz'
2025-08-31T09:30:53,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz'
2025-08-31T09:30:53,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz'
2025-08-31T09:30:53,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz'
2025-08-31T09:30:53,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz'
2025-08-31T09:30:53,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz'
2025-08-31T09:30:53,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz'
2025-08-31T09:30:53,733   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz'
2025-08-31T09:30:53,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz'
2025-08-31T09:30:53,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz'
2025-08-31T09:30:53,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz'
2025-08-31T09:30:53,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz'
2025-08-31T09:30:53,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz'
2025-08-31T09:30:53,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz'
2025-08-31T09:30:53,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz'
2025-08-31T09:30:53,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz'
2025-08-31T09:30:53,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz'
2025-08-31T09:30:53,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz'
2025-08-31T09:30:53,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz'
2025-08-31T09:30:53,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz'
2025-08-31T09:30:53,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz'
2025-08-31T09:30:53,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz'
2025-08-31T09:30:53,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz'
2025-08-31T09:30:53,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz'
2025-08-31T09:30:53,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz'
2025-08-31T09:30:53,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz'
2025-08-31T09:30:53,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz'
2025-08-31T09:30:53,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz'
2025-08-31T09:30:53,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz'
2025-08-31T09:30:53,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz'
2025-08-31T09:30:53,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene/struc.xyz'
2025-08-31T09:30:53,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz'
2025-08-31T09:30:53,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz'
2025-08-31T09:30:53,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz'
2025-08-31T09:30:53,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz'
2025-08-31T09:30:53,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz'
2025-08-31T09:30:53,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz'
2025-08-31T09:30:53,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz'
2025-08-31T09:30:53,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz'
2025-08-31T09:30:53,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz'
2025-08-31T09:30:53,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz'
2025-08-31T09:30:53,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz'
2025-08-31T09:30:53,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz'
2025-08-31T09:30:53,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz'
2025-08-31T09:30:53,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz'
2025-08-31T09:30:53,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz'
2025-08-31T09:30:53,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz'
2025-08-31T09:30:53,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz'
2025-08-31T09:30:53,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz'
2025-08-31T09:30:53,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz'
2025-08-31T09:30:53,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz'
2025-08-31T09:30:53,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz'
2025-08-31T09:30:53,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz'
2025-08-31T09:30:53,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz'
2025-08-31T09:30:53,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz'
2025-08-31T09:30:53,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz'
2025-08-31T09:30:53,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz'
2025-08-31T09:30:53,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz'
2025-08-31T09:30:53,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz'
2025-08-31T09:30:53,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz'
2025-08-31T09:30:53,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz'
2025-08-31T09:30:53,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz'
2025-08-31T09:30:53,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz'
2025-08-31T09:30:53,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz'
2025-08-31T09:30:53,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz'
2025-08-31T09:30:53,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz'
2025-08-31T09:30:53,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz'
2025-08-31T09:30:53,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz'
2025-08-31T09:30:53,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz'
2025-08-31T09:30:54,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz'
2025-08-31T09:30:54,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz'
2025-08-31T09:30:54,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz'
2025-08-31T09:30:54,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz'
2025-08-31T09:30:54,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz'
2025-08-31T09:30:54,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz'
2025-08-31T09:30:54,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz'
2025-08-31T09:30:54,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz'
2025-08-31T09:30:54,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz'
2025-08-31T09:30:54,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz'
2025-08-31T09:30:54,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz'
2025-08-31T09:30:54,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz'
2025-08-31T09:30:54,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz'
2025-08-31T09:30:54,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz'
2025-08-31T09:30:54,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz'
2025-08-31T09:30:54,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz'
2025-08-31T09:30:54,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz'
2025-08-31T09:30:54,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz'
2025-08-31T09:30:54,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz'
2025-08-31T09:30:54,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz'
2025-08-31T09:30:54,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz'
2025-08-31T09:30:54,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz'
2025-08-31T09:30:54,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz'
2025-08-31T09:30:54,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz'
2025-08-31T09:30:54,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz'
2025-08-31T09:30:54,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz'
2025-08-31T09:30:54,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz'
2025-08-31T09:30:54,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz'
2025-08-31T09:30:54,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz'
2025-08-31T09:30:54,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz'
2025-08-31T09:30:54,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz'
2025-08-31T09:30:54,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz'
2025-08-31T09:30:54,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz'
2025-08-31T09:30:54,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz'
2025-08-31T09:30:54,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz'
2025-08-31T09:30:54,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz'
2025-08-31T09:30:54,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz'
2025-08-31T09:30:54,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz'
2025-08-31T09:30:54,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz'
2025-08-31T09:30:54,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz'
2025-08-31T09:30:54,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz'
2025-08-31T09:30:54,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz'
2025-08-31T09:30:54,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz'
2025-08-31T09:30:54,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz'
2025-08-31T09:30:54,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz'
2025-08-31T09:30:54,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz'
2025-08-31T09:30:54,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz'
2025-08-31T09:30:54,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz'
2025-08-31T09:30:54,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz'
2025-08-31T09:30:54,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz'
2025-08-31T09:30:54,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz'
2025-08-31T09:30:54,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz'
2025-08-31T09:30:54,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz'
2025-08-31T09:30:54,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz'
2025-08-31T09:30:54,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz'
2025-08-31T09:30:54,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz'
2025-08-31T09:30:54,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz'
2025-08-31T09:30:54,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz'
2025-08-31T09:30:54,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz'
2025-08-31T09:30:54,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz'
2025-08-31T09:30:54,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz'
2025-08-31T09:30:54,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz'
2025-08-31T09:30:54,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz'
2025-08-31T09:30:54,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz'
2025-08-31T09:30:54,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz'
2025-08-31T09:30:54,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz'
2025-08-31T09:30:54,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz'
2025-08-31T09:30:54,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz'
2025-08-31T09:30:54,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz'
2025-08-31T09:30:54,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz'
2025-08-31T09:30:54,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz'
2025-08-31T09:30:54,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz'
2025-08-31T09:30:54,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz'
2025-08-31T09:30:54,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz'
2025-08-31T09:30:54,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz'
2025-08-31T09:30:54,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz'
2025-08-31T09:30:54,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz'
2025-08-31T09:30:54,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz'
2025-08-31T09:30:54,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz'
2025-08-31T09:30:54,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz'
2025-08-31T09:30:54,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz'
2025-08-31T09:30:54,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz'
2025-08-31T09:30:54,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz'
2025-08-31T09:30:54,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz'
2025-08-31T09:30:54,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz'
2025-08-31T09:30:54,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz'
2025-08-31T09:30:54,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz'
2025-08-31T09:30:54,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz'
2025-08-31T09:30:54,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz'
2025-08-31T09:30:54,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz'
2025-08-31T09:30:54,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz'
2025-08-31T09:30:54,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz'
2025-08-31T09:30:54,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz'
2025-08-31T09:30:54,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz'
2025-08-31T09:30:54,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz'
2025-08-31T09:30:54,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz'
2025-08-31T09:30:54,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz'
2025-08-31T09:30:54,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz'
2025-08-31T09:30:54,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz'
2025-08-31T09:30:54,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz'
2025-08-31T09:30:54,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz'
2025-08-31T09:30:54,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz'
2025-08-31T09:30:54,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz'
2025-08-31T09:30:54,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz'
2025-08-31T09:30:54,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz'
2025-08-31T09:30:54,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz'
2025-08-31T09:30:54,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz'
2025-08-31T09:30:54,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz'
2025-08-31T09:30:54,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz'
2025-08-31T09:30:54,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz'
2025-08-31T09:30:54,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz'
2025-08-31T09:30:54,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz'
2025-08-31T09:30:54,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz'
2025-08-31T09:30:54,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz'
2025-08-31T09:30:54,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz'
2025-08-31T09:30:54,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz'
2025-08-31T09:30:54,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz'
2025-08-31T09:30:54,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz'
2025-08-31T09:30:54,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz'
2025-08-31T09:30:54,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz'
2025-08-31T09:30:54,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz'
2025-08-31T09:30:54,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz'
2025-08-31T09:30:54,546   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz'
2025-08-31T09:30:54,548   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz'
2025-08-31T09:30:54,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz'
2025-08-31T09:30:54,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz'
2025-08-31T09:30:54,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz'
2025-08-31T09:30:54,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz'
2025-08-31T09:30:54,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz'
2025-08-31T09:30:54,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz'
2025-08-31T09:30:54,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA/struc.xyz'
2025-08-31T09:30:54,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz'
2025-08-31T09:30:54,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB/struc.xyz'
2025-08-31T09:30:54,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA/struc.xyz'
2025-08-31T09:30:54,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz'
2025-08-31T09:30:54,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB/struc.xyz'
2025-08-31T09:30:54,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz'
2025-08-31T09:30:54,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz'
2025-08-31T09:30:54,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz'
2025-08-31T09:30:54,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz'
2025-08-31T09:30:54,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz'
2025-08-31T09:30:54,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz'
2025-08-31T09:30:54,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz'
2025-08-31T09:30:54,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz'
2025-08-31T09:30:54,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz'
2025-08-31T09:30:54,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz'
2025-08-31T09:30:54,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz'
2025-08-31T09:30:54,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz'
2025-08-31T09:30:54,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz'
2025-08-31T09:30:54,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz'
2025-08-31T09:30:54,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz'
2025-08-31T09:30:54,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz'
2025-08-31T09:30:54,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz'
2025-08-31T09:30:54,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz'
2025-08-31T09:30:54,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz'
2025-08-31T09:30:54,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz'
2025-08-31T09:30:54,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz'
2025-08-31T09:30:54,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz'
2025-08-31T09:30:54,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz'
2025-08-31T09:30:54,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz'
2025-08-31T09:30:54,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz'
2025-08-31T09:30:54,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz'
2025-08-31T09:30:54,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz'
2025-08-31T09:30:54,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz'
2025-08-31T09:30:54,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz'
2025-08-31T09:30:54,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz'
2025-08-31T09:30:54,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz'
2025-08-31T09:30:54,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz'
2025-08-31T09:30:54,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz'
2025-08-31T09:30:54,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz'
2025-08-31T09:30:54,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz'
2025-08-31T09:30:54,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz'
2025-08-31T09:30:54,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz'
2025-08-31T09:30:54,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz'
2025-08-31T09:30:54,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz'
2025-08-31T09:30:54,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz'
2025-08-31T09:30:54,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz'
2025-08-31T09:30:54,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz'
2025-08-31T09:30:54,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz'
2025-08-31T09:30:54,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz'
2025-08-31T09:30:54,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz'
2025-08-31T09:30:54,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz'
2025-08-31T09:30:54,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz'
2025-08-31T09:30:54,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz'
2025-08-31T09:30:54,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz'
2025-08-31T09:30:54,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz'
2025-08-31T09:30:54,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz'
2025-08-31T09:30:54,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz'
2025-08-31T09:30:54,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz'
2025-08-31T09:30:54,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz'
2025-08-31T09:30:54,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz'
2025-08-31T09:30:54,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz'
2025-08-31T09:30:54,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz'
2025-08-31T09:30:54,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz'
2025-08-31T09:30:54,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz'
2025-08-31T09:30:54,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz'
2025-08-31T09:30:54,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz'
2025-08-31T09:30:54,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz'
2025-08-31T09:30:54,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz'
2025-08-31T09:30:54,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz'
2025-08-31T09:30:54,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz'
2025-08-31T09:30:54,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz'
2025-08-31T09:30:54,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz'
2025-08-31T09:30:54,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz'
2025-08-31T09:30:54,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz'
2025-08-31T09:30:54,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz'
2025-08-31T09:30:54,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz'
2025-08-31T09:30:54,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz'
2025-08-31T09:30:54,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz'
2025-08-31T09:30:54,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz'
2025-08-31T09:30:54,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz'
2025-08-31T09:30:54,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz'
2025-08-31T09:30:54,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz'
2025-08-31T09:30:54,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz'
2025-08-31T09:30:54,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz'
2025-08-31T09:30:54,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz'
2025-08-31T09:30:54,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz'
2025-08-31T09:30:54,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz'
2025-08-31T09:30:54,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz'
2025-08-31T09:30:54,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz'
2025-08-31T09:30:54,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz'
2025-08-31T09:30:54,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz'
2025-08-31T09:30:54,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz'
2025-08-31T09:30:54,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz'
2025-08-31T09:30:54,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz'
2025-08-31T09:30:54,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz'
2025-08-31T09:30:54,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz'
2025-08-31T09:30:54,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz'
2025-08-31T09:30:54,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz'
2025-08-31T09:30:54,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz'
2025-08-31T09:30:54,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz'
2025-08-31T09:30:54,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz'
2025-08-31T09:30:54,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz'
2025-08-31T09:30:54,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz'
2025-08-31T09:30:54,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz'
2025-08-31T09:30:54,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz'
2025-08-31T09:30:54,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz'
2025-08-31T09:30:54,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz'
2025-08-31T09:30:54,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz'
2025-08-31T09:30:54,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz'
2025-08-31T09:30:54,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz'
2025-08-31T09:30:54,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz'
2025-08-31T09:30:54,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz'
2025-08-31T09:30:54,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz'
2025-08-31T09:30:54,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz'
2025-08-31T09:30:54,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz'
2025-08-31T09:30:54,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz'
2025-08-31T09:30:54,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz'
2025-08-31T09:30:54,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz'
2025-08-31T09:30:54,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz'
2025-08-31T09:30:54,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz'
2025-08-31T09:30:54,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz'
2025-08-31T09:30:54,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz'
2025-08-31T09:30:54,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz'
2025-08-31T09:30:54,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz'
2025-08-31T09:30:54,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz'
2025-08-31T09:30:54,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz'
2025-08-31T09:30:54,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz'
2025-08-31T09:30:54,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz'
2025-08-31T09:30:54,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz'
2025-08-31T09:30:54,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz'
2025-08-31T09:30:54,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz'
2025-08-31T09:30:54,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz'
2025-08-31T09:30:54,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz'
2025-08-31T09:30:54,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz'
2025-08-31T09:30:54,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz'
2025-08-31T09:30:54,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz'
2025-08-31T09:30:54,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz'
2025-08-31T09:30:54,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz'
2025-08-31T09:30:54,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz'
2025-08-31T09:30:54,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz'
2025-08-31T09:30:54,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz'
2025-08-31T09:30:54,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz'
2025-08-31T09:30:54,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz'
2025-08-31T09:30:54,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz'
2025-08-31T09:30:54,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz'
2025-08-31T09:30:54,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz'
2025-08-31T09:30:54,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz'
2025-08-31T09:30:54,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz'
2025-08-31T09:30:54,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz'
2025-08-31T09:30:54,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz'
2025-08-31T09:30:54,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz'
2025-08-31T09:30:54,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz'
2025-08-31T09:30:54,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz'
2025-08-31T09:30:54,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz'
2025-08-31T09:30:54,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz'
2025-08-31T09:30:54,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz'
2025-08-31T09:30:54,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz'
2025-08-31T09:30:54,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz'
2025-08-31T09:30:54,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz'
2025-08-31T09:30:54,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz'
2025-08-31T09:30:54,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz'
2025-08-31T09:30:54,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz'
2025-08-31T09:30:54,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz'
2025-08-31T09:30:54,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz'
2025-08-31T09:30:54,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz'
2025-08-31T09:30:54,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz'
2025-08-31T09:30:54,857   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz'
2025-08-31T09:30:54,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz'
2025-08-31T09:30:54,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz'
2025-08-31T09:30:54,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz'
2025-08-31T09:30:54,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz'
2025-08-31T09:30:54,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz'
2025-08-31T09:30:54,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz'
2025-08-31T09:30:54,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz'
2025-08-31T09:30:54,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz'
2025-08-31T09:30:54,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz'
2025-08-31T09:30:54,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz'
2025-08-31T09:30:54,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz'
2025-08-31T09:30:54,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz'
2025-08-31T09:30:54,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz'
2025-08-31T09:30:54,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz'
2025-08-31T09:30:54,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz'
2025-08-31T09:30:54,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz'
2025-08-31T09:30:54,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz'
2025-08-31T09:30:54,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz'
2025-08-31T09:30:54,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz'
2025-08-31T09:30:54,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz'
2025-08-31T09:30:54,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz'
2025-08-31T09:30:54,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz'
2025-08-31T09:30:54,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz'
2025-08-31T09:30:54,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz'
2025-08-31T09:30:54,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz'
2025-08-31T09:30:54,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz'
2025-08-31T09:30:54,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz'
2025-08-31T09:30:54,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz'
2025-08-31T09:30:54,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz'
2025-08-31T09:30:54,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz'
2025-08-31T09:30:54,914   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz'
2025-08-31T09:30:54,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz'
2025-08-31T09:30:54,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz'
2025-08-31T09:30:54,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz'
2025-08-31T09:30:54,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz'
2025-08-31T09:30:54,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz'
2025-08-31T09:30:54,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz'
2025-08-31T09:30:54,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz'
2025-08-31T09:30:54,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz'
2025-08-31T09:30:54,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz'
2025-08-31T09:30:54,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz'
2025-08-31T09:30:54,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz'
2025-08-31T09:30:54,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz'
2025-08-31T09:30:54,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz'
2025-08-31T09:30:54,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz'
2025-08-31T09:30:54,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz'
2025-08-31T09:30:54,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz'
2025-08-31T09:30:54,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz'
2025-08-31T09:30:54,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz'
2025-08-31T09:30:54,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz'
2025-08-31T09:30:54,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz'
2025-08-31T09:30:54,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz'
2025-08-31T09:30:54,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz'
2025-08-31T09:30:54,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz'
2025-08-31T09:30:54,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz'
2025-08-31T09:30:54,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz'
2025-08-31T09:30:54,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz'
2025-08-31T09:30:54,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz'
2025-08-31T09:30:54,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz'
2025-08-31T09:30:54,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz'
2025-08-31T09:30:54,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz'
2025-08-31T09:30:54,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz'
2025-08-31T09:30:54,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz'
2025-08-31T09:30:54,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz'
2025-08-31T09:30:54,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz'
2025-08-31T09:30:54,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz'
2025-08-31T09:30:54,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz'
2025-08-31T09:30:54,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz'
2025-08-31T09:30:54,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz'
2025-08-31T09:30:54,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz'
2025-08-31T09:30:54,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz'
2025-08-31T09:30:54,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz'
2025-08-31T09:30:54,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz'
2025-08-31T09:30:54,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz'
2025-08-31T09:30:54,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz'
2025-08-31T09:30:54,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz'
2025-08-31T09:30:54,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz'
2025-08-31T09:30:54,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz'
2025-08-31T09:30:54,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz'
2025-08-31T09:30:54,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz'
2025-08-31T09:30:55,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz'
2025-08-31T09:30:55,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz'
2025-08-31T09:30:55,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz'
2025-08-31T09:30:55,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz'
2025-08-31T09:30:55,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz'
2025-08-31T09:30:55,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz'
2025-08-31T09:30:55,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz'
2025-08-31T09:30:55,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz'
2025-08-31T09:30:55,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz'
2025-08-31T09:30:55,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz'
2025-08-31T09:30:55,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz'
2025-08-31T09:30:55,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz'
2025-08-31T09:30:55,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz'
2025-08-31T09:30:55,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz'
2025-08-31T09:30:55,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz'
2025-08-31T09:30:55,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz'
2025-08-31T09:30:55,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz'
2025-08-31T09:30:55,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz'
2025-08-31T09:30:55,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz'
2025-08-31T09:30:55,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz'
2025-08-31T09:30:55,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz'
2025-08-31T09:30:55,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz'
2025-08-31T09:30:55,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz'
2025-08-31T09:30:55,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz'
2025-08-31T09:30:55,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz'
2025-08-31T09:30:55,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz'
2025-08-31T09:30:55,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz'
2025-08-31T09:30:55,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz'
2025-08-31T09:30:55,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz'
2025-08-31T09:30:55,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz'
2025-08-31T09:30:55,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz'
2025-08-31T09:30:55,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz'
2025-08-31T09:30:55,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz'
2025-08-31T09:30:55,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz'
2025-08-31T09:30:55,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz'
2025-08-31T09:30:55,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz'
2025-08-31T09:30:55,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz'
2025-08-31T09:30:55,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz'
2025-08-31T09:30:55,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz'
2025-08-31T09:30:55,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz'
2025-08-31T09:30:55,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz'
2025-08-31T09:30:55,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz'
2025-08-31T09:30:55,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz'
2025-08-31T09:30:55,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz'
2025-08-31T09:30:55,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz'
2025-08-31T09:30:55,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz'
2025-08-31T09:30:55,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz'
2025-08-31T09:30:55,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz'
2025-08-31T09:30:55,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz'
2025-08-31T09:30:55,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz'
2025-08-31T09:30:55,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz'
2025-08-31T09:30:55,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz'
2025-08-31T09:30:55,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz'
2025-08-31T09:30:55,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz'
2025-08-31T09:30:55,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz'
2025-08-31T09:30:55,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz'
2025-08-31T09:30:55,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz'
2025-08-31T09:30:55,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz'
2025-08-31T09:30:55,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz'
2025-08-31T09:30:55,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz'
2025-08-31T09:30:55,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz'
2025-08-31T09:30:55,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz'
2025-08-31T09:30:55,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz'
2025-08-31T09:30:55,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz'
2025-08-31T09:30:55,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz'
2025-08-31T09:30:55,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz'
2025-08-31T09:30:55,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz'
2025-08-31T09:30:55,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz'
2025-08-31T09:30:55,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz'
2025-08-31T09:30:55,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz'
2025-08-31T09:30:55,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz'
2025-08-31T09:30:55,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz'
2025-08-31T09:30:55,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz'
2025-08-31T09:30:55,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz'
2025-08-31T09:30:55,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz'
2025-08-31T09:30:55,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz'
2025-08-31T09:30:55,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz'
2025-08-31T09:30:55,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz'
2025-08-31T09:30:55,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz'
2025-08-31T09:30:55,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz'
2025-08-31T09:30:55,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz'
2025-08-31T09:30:55,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz'
2025-08-31T09:30:55,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz'
2025-08-31T09:30:55,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz'
2025-08-31T09:30:55,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz'
2025-08-31T09:30:55,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz'
2025-08-31T09:30:55,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz'
2025-08-31T09:30:55,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz'
2025-08-31T09:30:55,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz'
2025-08-31T09:30:55,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz'
2025-08-31T09:30:55,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz'
2025-08-31T09:30:55,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz'
2025-08-31T09:30:55,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz'
2025-08-31T09:30:55,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz'
2025-08-31T09:30:55,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz'
2025-08-31T09:30:55,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz'
2025-08-31T09:30:55,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz'
2025-08-31T09:30:55,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz'
2025-08-31T09:30:55,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz'
2025-08-31T09:30:55,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz'
2025-08-31T09:30:55,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz'
2025-08-31T09:30:55,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz'
2025-08-31T09:30:55,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz'
2025-08-31T09:30:55,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz'
2025-08-31T09:30:55,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz'
2025-08-31T09:30:55,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz'
2025-08-31T09:30:55,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz'
2025-08-31T09:30:55,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz'
2025-08-31T09:30:55,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz'
2025-08-31T09:30:55,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz'
2025-08-31T09:30:55,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz'
2025-08-31T09:30:55,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz'
2025-08-31T09:30:55,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz'
2025-08-31T09:30:55,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz'
2025-08-31T09:30:55,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz'
2025-08-31T09:30:55,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz'
2025-08-31T09:30:55,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz'
2025-08-31T09:30:55,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz'
2025-08-31T09:30:55,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz'
2025-08-31T09:30:55,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz'
2025-08-31T09:30:55,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz'
2025-08-31T09:30:55,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz'
2025-08-31T09:30:55,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz'
2025-08-31T09:30:55,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz'
2025-08-31T09:30:55,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz'
2025-08-31T09:30:55,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz'
2025-08-31T09:30:55,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz'
2025-08-31T09:30:55,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz'
2025-08-31T09:30:55,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz'
2025-08-31T09:30:55,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz'
2025-08-31T09:30:55,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz'
2025-08-31T09:30:55,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz'
2025-08-31T09:30:55,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz'
2025-08-31T09:30:55,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz'
2025-08-31T09:30:55,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz'
2025-08-31T09:30:55,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz'
2025-08-31T09:30:55,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz'
2025-08-31T09:30:55,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz'
2025-08-31T09:30:55,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz'
2025-08-31T09:30:55,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz'
2025-08-31T09:30:55,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz'
2025-08-31T09:30:55,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz'
2025-08-31T09:30:55,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz'
2025-08-31T09:30:55,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz'
2025-08-31T09:30:55,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz'
2025-08-31T09:30:55,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz'
2025-08-31T09:30:55,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz'
2025-08-31T09:30:55,277   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz'
2025-08-31T09:30:55,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz'
2025-08-31T09:30:55,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz'
2025-08-31T09:30:55,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz'
2025-08-31T09:30:55,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz'
2025-08-31T09:30:55,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz'
2025-08-31T09:30:55,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz'
2025-08-31T09:30:55,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz'
2025-08-31T09:30:55,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz'
2025-08-31T09:30:55,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz'
2025-08-31T09:30:55,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz'
2025-08-31T09:30:55,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz'
2025-08-31T09:30:55,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz'
2025-08-31T09:30:55,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz'
2025-08-31T09:30:55,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz'
2025-08-31T09:30:55,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz'
2025-08-31T09:30:55,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz'
2025-08-31T09:30:55,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz'
2025-08-31T09:30:55,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz'
2025-08-31T09:30:55,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz'
2025-08-31T09:30:55,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz'
2025-08-31T09:30:55,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz'
2025-08-31T09:30:55,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz'
2025-08-31T09:30:55,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz'
2025-08-31T09:30:55,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz'
2025-08-31T09:30:55,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz'
2025-08-31T09:30:55,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz'
2025-08-31T09:30:55,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz'
2025-08-31T09:30:55,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz'
2025-08-31T09:30:55,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz'
2025-08-31T09:30:55,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz'
2025-08-31T09:30:55,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz'
2025-08-31T09:30:55,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz'
2025-08-31T09:30:55,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz'
2025-08-31T09:30:55,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz'
2025-08-31T09:30:55,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz'
2025-08-31T09:30:55,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz'
2025-08-31T09:30:55,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz'
2025-08-31T09:30:55,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz'
2025-08-31T09:30:55,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz'
2025-08-31T09:30:55,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz'
2025-08-31T09:30:55,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz'
2025-08-31T09:30:55,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz'
2025-08-31T09:30:55,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz'
2025-08-31T09:30:55,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz'
2025-08-31T09:30:55,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz'
2025-08-31T09:30:55,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz'
2025-08-31T09:30:55,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz'
2025-08-31T09:30:55,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz'
2025-08-31T09:30:55,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz'
2025-08-31T09:30:55,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz'
2025-08-31T09:30:55,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz'
2025-08-31T09:30:55,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz'
2025-08-31T09:30:55,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz'
2025-08-31T09:30:55,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz'
2025-08-31T09:30:55,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz'
2025-08-31T09:30:55,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz'
2025-08-31T09:30:55,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz'
2025-08-31T09:30:55,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz'
2025-08-31T09:30:55,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz'
2025-08-31T09:30:55,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz'
2025-08-31T09:30:55,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz'
2025-08-31T09:30:55,394   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz'
2025-08-31T09:30:55,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz'
2025-08-31T09:30:55,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz'
2025-08-31T09:30:55,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz'
2025-08-31T09:30:55,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz'
2025-08-31T09:30:55,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz'
2025-08-31T09:30:55,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz'
2025-08-31T09:30:55,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz'
2025-08-31T09:30:55,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz'
2025-08-31T09:30:55,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz'
2025-08-31T09:30:55,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz'
2025-08-31T09:30:55,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz'
2025-08-31T09:30:55,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz'
2025-08-31T09:30:55,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz'
2025-08-31T09:30:55,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz'
2025-08-31T09:30:55,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz'
2025-08-31T09:30:55,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz'
2025-08-31T09:30:55,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz'
2025-08-31T09:30:55,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz'
2025-08-31T09:30:55,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz'
2025-08-31T09:30:55,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz'
2025-08-31T09:30:55,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz'
2025-08-31T09:30:55,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz'
2025-08-31T09:30:55,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz'
2025-08-31T09:30:55,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz'
2025-08-31T09:30:55,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz'
2025-08-31T09:30:55,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz'
2025-08-31T09:30:55,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz'
2025-08-31T09:30:55,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz'
2025-08-31T09:30:55,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz'
2025-08-31T09:30:55,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz'
2025-08-31T09:30:55,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz'
2025-08-31T09:30:55,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz'
2025-08-31T09:30:55,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz'
2025-08-31T09:30:55,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz'
2025-08-31T09:30:55,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz'
2025-08-31T09:30:55,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz'
2025-08-31T09:30:55,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz'
2025-08-31T09:30:55,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz'
2025-08-31T09:30:55,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz'
2025-08-31T09:30:55,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz'
2025-08-31T09:30:55,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz'
2025-08-31T09:30:55,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz'
2025-08-31T09:30:55,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz'
2025-08-31T09:30:55,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz'
2025-08-31T09:30:55,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz'
2025-08-31T09:30:55,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz'
2025-08-31T09:30:55,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz'
2025-08-31T09:30:55,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz'
2025-08-31T09:30:55,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz'
2025-08-31T09:30:55,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz'
2025-08-31T09:30:55,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz'
2025-08-31T09:30:55,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz'
2025-08-31T09:30:55,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz'
2025-08-31T09:30:55,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz'
2025-08-31T09:30:55,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz'
2025-08-31T09:30:55,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz'
2025-08-31T09:30:55,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz'
2025-08-31T09:30:55,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz'
2025-08-31T09:30:55,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz'
2025-08-31T09:30:55,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz'
2025-08-31T09:30:55,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz'
2025-08-31T09:30:55,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz'
2025-08-31T09:30:55,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz'
2025-08-31T09:30:55,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz'
2025-08-31T09:30:55,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz'
2025-08-31T09:30:55,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz'
2025-08-31T09:30:55,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz'
2025-08-31T09:30:55,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz'
2025-08-31T09:30:55,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz'
2025-08-31T09:30:55,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz'
2025-08-31T09:30:55,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz'
2025-08-31T09:30:55,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz'
2025-08-31T09:30:55,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz'
2025-08-31T09:30:55,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz'
2025-08-31T09:30:55,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz'
2025-08-31T09:30:55,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz'
2025-08-31T09:30:55,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz'
2025-08-31T09:30:55,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz'
2025-08-31T09:30:55,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz'
2025-08-31T09:30:55,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz'
2025-08-31T09:30:55,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz'
2025-08-31T09:30:55,546   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz'
2025-08-31T09:30:55,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz'
2025-08-31T09:30:55,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz'
2025-08-31T09:30:55,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz'
2025-08-31T09:30:55,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz'
2025-08-31T09:30:55,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz'
2025-08-31T09:30:55,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz'
2025-08-31T09:30:55,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz'
2025-08-31T09:30:55,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz'
2025-08-31T09:30:55,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz'
2025-08-31T09:30:55,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz'
2025-08-31T09:30:55,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz'
2025-08-31T09:30:55,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz'
2025-08-31T09:30:55,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz'
2025-08-31T09:30:55,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz'
2025-08-31T09:30:55,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz'
2025-08-31T09:30:55,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz'
2025-08-31T09:30:55,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz'
2025-08-31T09:30:55,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz'
2025-08-31T09:30:55,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz'
2025-08-31T09:30:55,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz'
2025-08-31T09:30:55,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz'
2025-08-31T09:30:55,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz'
2025-08-31T09:30:55,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz'
2025-08-31T09:30:55,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz'
2025-08-31T09:30:55,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz'
2025-08-31T09:30:55,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz'
2025-08-31T09:30:55,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz'
2025-08-31T09:30:55,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz'
2025-08-31T09:30:55,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz'
2025-08-31T09:30:55,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz'
2025-08-31T09:30:55,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz'
2025-08-31T09:30:55,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz'
2025-08-31T09:30:55,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz'
2025-08-31T09:30:55,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz'
2025-08-31T09:30:55,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz'
2025-08-31T09:30:55,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz'
2025-08-31T09:30:55,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz'
2025-08-31T09:30:55,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz'
2025-08-31T09:30:55,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz'
2025-08-31T09:30:55,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz'
2025-08-31T09:30:55,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz'
2025-08-31T09:30:55,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz'
2025-08-31T09:30:55,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz'
2025-08-31T09:30:55,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz'
2025-08-31T09:30:55,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz'
2025-08-31T09:30:55,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz'
2025-08-31T09:30:55,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz'
2025-08-31T09:30:55,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz'
2025-08-31T09:30:55,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz'
2025-08-31T09:30:55,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz'
2025-08-31T09:30:55,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz'
2025-08-31T09:30:55,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz'
2025-08-31T09:30:55,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz'
2025-08-31T09:30:55,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz'
2025-08-31T09:30:55,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz'
2025-08-31T09:30:55,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz'
2025-08-31T09:30:55,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz'
2025-08-31T09:30:55,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz'
2025-08-31T09:30:55,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz'
2025-08-31T09:30:55,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz'
2025-08-31T09:30:55,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz'
2025-08-31T09:30:55,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz'
2025-08-31T09:30:55,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz'
2025-08-31T09:30:55,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz'
2025-08-31T09:30:55,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz'
2025-08-31T09:30:55,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz'
2025-08-31T09:30:55,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz'
2025-08-31T09:30:55,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz'
2025-08-31T09:30:55,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz'
2025-08-31T09:30:55,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz'
2025-08-31T09:30:55,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz'
2025-08-31T09:30:55,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz'
2025-08-31T09:30:55,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz'
2025-08-31T09:30:55,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz'
2025-08-31T09:30:55,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz'
2025-08-31T09:30:55,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz'
2025-08-31T09:30:55,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz'
2025-08-31T09:30:55,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz'
2025-08-31T09:30:55,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz'
2025-08-31T09:30:55,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz'
2025-08-31T09:30:55,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz'
2025-08-31T09:30:55,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz'
2025-08-31T09:30:55,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz'
2025-08-31T09:30:55,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz'
2025-08-31T09:30:55,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz'
2025-08-31T09:30:55,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz'
2025-08-31T09:30:55,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz'
2025-08-31T09:30:55,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz'
2025-08-31T09:30:55,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz'
2025-08-31T09:30:55,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz'
2025-08-31T09:30:55,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz'
2025-08-31T09:30:55,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz'
2025-08-31T09:30:55,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz'
2025-08-31T09:30:55,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz'
2025-08-31T09:30:55,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz'
2025-08-31T09:30:55,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz'
2025-08-31T09:30:55,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz'
2025-08-31T09:30:55,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz'
2025-08-31T09:30:55,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz'
2025-08-31T09:30:55,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz'
2025-08-31T09:30:55,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz'
2025-08-31T09:30:55,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz'
2025-08-31T09:30:55,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz'
2025-08-31T09:30:55,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz'
2025-08-31T09:30:55,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz'
2025-08-31T09:30:55,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz'
2025-08-31T09:30:55,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz'
2025-08-31T09:30:55,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz'
2025-08-31T09:30:55,972   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz'
2025-08-31T09:30:55,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz'
2025-08-31T09:30:55,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz'
2025-08-31T09:30:55,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz'
2025-08-31T09:30:55,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz'
2025-08-31T09:30:55,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz'
2025-08-31T09:30:55,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz'
2025-08-31T09:30:55,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz'
2025-08-31T09:30:55,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz'
2025-08-31T09:30:55,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz'
2025-08-31T09:30:55,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz'
2025-08-31T09:30:55,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz'
2025-08-31T09:30:55,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz'
2025-08-31T09:30:55,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz'
2025-08-31T09:30:55,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz'
2025-08-31T09:30:55,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz'
2025-08-31T09:30:56,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz'
2025-08-31T09:30:56,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz'
2025-08-31T09:30:56,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz'
2025-08-31T09:30:56,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz'
2025-08-31T09:30:56,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz'
2025-08-31T09:30:56,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz'
2025-08-31T09:30:56,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz'
2025-08-31T09:30:56,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz'
2025-08-31T09:30:56,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz'
2025-08-31T09:30:56,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz'
2025-08-31T09:30:56,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz'
2025-08-31T09:30:56,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz'
2025-08-31T09:30:56,020   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz'
2025-08-31T09:30:56,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz'
2025-08-31T09:30:56,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz'
2025-08-31T09:30:56,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz'
2025-08-31T09:30:56,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz'
2025-08-31T09:30:56,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz'
2025-08-31T09:30:56,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz'
2025-08-31T09:30:56,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz'
2025-08-31T09:30:56,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz'
2025-08-31T09:30:56,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz'
2025-08-31T09:30:56,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz'
2025-08-31T09:30:56,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz'
2025-08-31T09:30:56,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz'
2025-08-31T09:30:56,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz'
2025-08-31T09:30:56,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz'
2025-08-31T09:30:56,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz'
2025-08-31T09:30:56,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz'
2025-08-31T09:30:56,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz'
2025-08-31T09:30:56,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz'
2025-08-31T09:30:56,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz'
2025-08-31T09:30:56,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz'
2025-08-31T09:30:56,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz'
2025-08-31T09:30:56,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz'
2025-08-31T09:30:56,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz'
2025-08-31T09:30:56,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz'
2025-08-31T09:30:56,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz'
2025-08-31T09:30:56,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz'
2025-08-31T09:30:56,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz'
2025-08-31T09:30:56,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz'
2025-08-31T09:30:56,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz'
2025-08-31T09:30:56,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz'
2025-08-31T09:30:56,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz'
2025-08-31T09:30:56,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz'
2025-08-31T09:30:56,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz'
2025-08-31T09:30:56,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz'
2025-08-31T09:30:56,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz'
2025-08-31T09:30:56,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz'
2025-08-31T09:30:56,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz'
2025-08-31T09:30:56,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz'
2025-08-31T09:30:56,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz'
2025-08-31T09:30:56,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz'
2025-08-31T09:30:56,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz'
2025-08-31T09:30:56,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts/struc.xyz'
2025-08-31T09:30:56,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz'
2025-08-31T09:30:56,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts/struc.xyz'
2025-08-31T09:30:56,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz'
2025-08-31T09:30:56,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts/struc.xyz'
2025-08-31T09:30:56,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz'
2025-08-31T09:30:56,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts/struc.xyz'
2025-08-31T09:30:56,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz'
2025-08-31T09:30:56,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts/struc.xyz'
2025-08-31T09:30:56,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz'
2025-08-31T09:30:56,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz'
2025-08-31T09:30:56,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts/struc.xyz'
2025-08-31T09:30:56,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz'
2025-08-31T09:30:56,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts/struc.xyz'
2025-08-31T09:30:56,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz'
2025-08-31T09:30:56,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts/struc.xyz'
2025-08-31T09:30:56,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz'
2025-08-31T09:30:56,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts/struc.xyz'
2025-08-31T09:30:56,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz'
2025-08-31T09:30:56,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts/struc.xyz'
2025-08-31T09:30:56,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz'
2025-08-31T09:30:56,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz'
2025-08-31T09:30:56,129   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts/struc.xyz'
2025-08-31T09:30:56,131   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz'
2025-08-31T09:30:56,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts/struc.xyz'
2025-08-31T09:30:56,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz'
2025-08-31T09:30:56,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts/struc.xyz'
2025-08-31T09:30:56,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz'
2025-08-31T09:30:56,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz'
2025-08-31T09:30:56,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz'
2025-08-31T09:30:56,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz'
2025-08-31T09:30:56,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz'
2025-08-31T09:30:56,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz'
2025-08-31T09:30:56,150   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz'
2025-08-31T09:30:56,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz'
2025-08-31T09:30:56,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz'
2025-08-31T09:30:56,155   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz'
2025-08-31T09:30:56,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz'
2025-08-31T09:30:56,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz'
2025-08-31T09:30:56,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz'
2025-08-31T09:30:56,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz'
2025-08-31T09:30:56,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz'
2025-08-31T09:30:56,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz'
2025-08-31T09:30:56,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz'
2025-08-31T09:30:56,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz'
2025-08-31T09:30:56,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz'
2025-08-31T09:30:56,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz'
2025-08-31T09:30:56,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz'
2025-08-31T09:30:56,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz'
2025-08-31T09:30:56,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz'
2025-08-31T09:30:56,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz'
2025-08-31T09:30:56,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz'
2025-08-31T09:30:56,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz'
2025-08-31T09:30:56,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz'
2025-08-31T09:30:56,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz'
2025-08-31T09:30:56,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz'
2025-08-31T09:30:56,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz'
2025-08-31T09:30:56,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz'
2025-08-31T09:30:56,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz'
2025-08-31T09:30:56,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz'
2025-08-31T09:30:56,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz'
2025-08-31T09:30:56,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz'
2025-08-31T09:30:56,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz'
2025-08-31T09:30:56,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz'
2025-08-31T09:30:56,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz'
2025-08-31T09:30:56,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz'
2025-08-31T09:30:56,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz'
2025-08-31T09:30:56,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz'
2025-08-31T09:30:56,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz'
2025-08-31T09:30:56,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz'
2025-08-31T09:30:56,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz'
2025-08-31T09:30:56,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz'
2025-08-31T09:30:56,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz'
2025-08-31T09:30:56,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz'
2025-08-31T09:30:56,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz'
2025-08-31T09:30:56,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz'
2025-08-31T09:30:56,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz'
2025-08-31T09:30:56,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz'
2025-08-31T09:30:56,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz'
2025-08-31T09:30:56,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz'
2025-08-31T09:30:56,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz'
2025-08-31T09:30:56,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz'
2025-08-31T09:30:56,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz'
2025-08-31T09:30:56,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz'
2025-08-31T09:30:56,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz'
2025-08-31T09:30:56,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz'
2025-08-31T09:30:56,243   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz'
2025-08-31T09:30:56,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz'
2025-08-31T09:30:56,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz'
2025-08-31T09:30:56,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz'
2025-08-31T09:30:56,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz'
2025-08-31T09:30:56,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz'
2025-08-31T09:30:56,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz'
2025-08-31T09:30:56,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz'
2025-08-31T09:30:56,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz'
2025-08-31T09:30:56,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz'
2025-08-31T09:30:56,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz'
2025-08-31T09:30:56,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz'
2025-08-31T09:30:56,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz'
2025-08-31T09:30:56,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz'
2025-08-31T09:30:56,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz'
2025-08-31T09:30:56,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz'
2025-08-31T09:30:56,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz'
2025-08-31T09:30:56,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz'
2025-08-31T09:30:56,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz'
2025-08-31T09:30:56,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz'
2025-08-31T09:30:56,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz'
2025-08-31T09:30:56,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz'
2025-08-31T09:30:56,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz'
2025-08-31T09:30:56,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz'
2025-08-31T09:30:56,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz'
2025-08-31T09:30:56,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz'
2025-08-31T09:30:56,290   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz'
2025-08-31T09:30:56,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz'
2025-08-31T09:30:56,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz'
2025-08-31T09:30:56,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz'
2025-08-31T09:30:56,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz'
2025-08-31T09:30:56,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz'
2025-08-31T09:30:56,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz'
2025-08-31T09:30:56,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz'
2025-08-31T09:30:56,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz'
2025-08-31T09:30:56,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz'
2025-08-31T09:30:56,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz'
2025-08-31T09:30:56,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz'
2025-08-31T09:30:56,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz'
2025-08-31T09:30:56,313   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz'
2025-08-31T09:30:56,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz'
2025-08-31T09:30:56,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz'
2025-08-31T09:30:56,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz'
2025-08-31T09:30:56,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz'
2025-08-31T09:30:56,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz'
2025-08-31T09:30:56,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz'
2025-08-31T09:30:56,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz'
2025-08-31T09:30:56,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz'
2025-08-31T09:30:56,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz'
2025-08-31T09:30:56,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz'
2025-08-31T09:30:56,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz'
2025-08-31T09:30:56,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz'
2025-08-31T09:30:56,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz'
2025-08-31T09:30:56,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz'
2025-08-31T09:30:56,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz'
2025-08-31T09:30:56,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz'
2025-08-31T09:30:56,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz'
2025-08-31T09:30:56,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz'
2025-08-31T09:30:56,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz'
2025-08-31T09:30:56,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz'
2025-08-31T09:30:56,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz'
2025-08-31T09:30:56,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz'
2025-08-31T09:30:56,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz'
2025-08-31T09:30:56,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz'
2025-08-31T09:30:56,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz'
2025-08-31T09:30:56,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz'
2025-08-31T09:30:56,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz'
2025-08-31T09:30:56,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz'
2025-08-31T09:30:56,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz'
2025-08-31T09:30:56,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz'
2025-08-31T09:30:56,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz'
2025-08-31T09:30:56,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz'
2025-08-31T09:30:56,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz'
2025-08-31T09:30:56,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz'
2025-08-31T09:30:56,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz'
2025-08-31T09:30:56,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz'
2025-08-31T09:30:56,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz'
2025-08-31T09:30:56,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz'
2025-08-31T09:30:56,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz'
2025-08-31T09:30:56,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz'
2025-08-31T09:30:56,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz'
2025-08-31T09:30:56,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz'
2025-08-31T09:30:56,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz'
2025-08-31T09:30:56,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz'
2025-08-31T09:30:56,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz'
2025-08-31T09:30:56,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz'
2025-08-31T09:30:56,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz'
2025-08-31T09:30:56,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz'
2025-08-31T09:30:56,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz'
2025-08-31T09:30:56,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz'
2025-08-31T09:30:56,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz'
2025-08-31T09:30:56,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz'
2025-08-31T09:30:56,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz'
2025-08-31T09:30:56,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz'
2025-08-31T09:30:56,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz'
2025-08-31T09:30:56,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz'
2025-08-31T09:30:56,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz'
2025-08-31T09:30:56,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz'
2025-08-31T09:30:56,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz'
2025-08-31T09:30:56,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz'
2025-08-31T09:30:56,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz'
2025-08-31T09:30:56,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz'
2025-08-31T09:30:56,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz'
2025-08-31T09:30:56,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz'
2025-08-31T09:30:56,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz'
2025-08-31T09:30:56,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz'
2025-08-31T09:30:56,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz'
2025-08-31T09:30:56,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz'
2025-08-31T09:30:56,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz'
2025-08-31T09:30:56,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz'
2025-08-31T09:30:56,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz'
2025-08-31T09:30:56,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz'
2025-08-31T09:30:56,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz'
2025-08-31T09:30:56,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz'
2025-08-31T09:30:56,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz'
2025-08-31T09:30:56,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz'
2025-08-31T09:30:56,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz'
2025-08-31T09:30:56,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz'
2025-08-31T09:30:56,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz'
2025-08-31T09:30:56,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz'
2025-08-31T09:30:56,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz'
2025-08-31T09:30:56,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz'
2025-08-31T09:30:56,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz'
2025-08-31T09:30:56,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz'
2025-08-31T09:30:56,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz'
2025-08-31T09:30:56,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz'
2025-08-31T09:30:56,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz'
2025-08-31T09:30:56,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz'
2025-08-31T09:30:56,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz'
2025-08-31T09:30:56,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz'
2025-08-31T09:30:56,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz'
2025-08-31T09:30:56,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz'
2025-08-31T09:30:56,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz'
2025-08-31T09:30:56,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz'
2025-08-31T09:30:56,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz'
2025-08-31T09:30:56,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz'
2025-08-31T09:30:56,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz'
2025-08-31T09:30:56,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz'
2025-08-31T09:30:56,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz'
2025-08-31T09:30:56,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz'
2025-08-31T09:30:56,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz'
2025-08-31T09:30:56,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz'
2025-08-31T09:30:56,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz'
2025-08-31T09:30:56,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz'
2025-08-31T09:30:56,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz'
2025-08-31T09:30:56,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz'
2025-08-31T09:30:56,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz'
2025-08-31T09:30:56,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz'
2025-08-31T09:30:56,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz'
2025-08-31T09:30:56,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz'
2025-08-31T09:30:56,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz'
2025-08-31T09:30:56,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz'
2025-08-31T09:30:56,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz'
2025-08-31T09:30:56,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz'
2025-08-31T09:30:56,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz'
2025-08-31T09:30:56,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz'
2025-08-31T09:30:56,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz'
2025-08-31T09:30:56,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz'
2025-08-31T09:30:56,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz'
2025-08-31T09:30:56,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz'
2025-08-31T09:30:56,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz'
2025-08-31T09:30:56,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz'
2025-08-31T09:30:56,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz'
2025-08-31T09:30:56,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz'
2025-08-31T09:30:56,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz'
2025-08-31T09:30:56,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz'
2025-08-31T09:30:56,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz'
2025-08-31T09:30:56,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz'
2025-08-31T09:30:56,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz'
2025-08-31T09:30:56,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz'
2025-08-31T09:30:56,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz'
2025-08-31T09:30:56,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz'
2025-08-31T09:30:56,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz'
2025-08-31T09:30:56,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz'
2025-08-31T09:30:56,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz'
2025-08-31T09:30:56,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz'
2025-08-31T09:30:56,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz'
2025-08-31T09:30:56,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz'
2025-08-31T09:30:56,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz'
2025-08-31T09:30:56,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz'
2025-08-31T09:30:56,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz'
2025-08-31T09:30:56,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz'
2025-08-31T09:30:56,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz'
2025-08-31T09:30:56,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz'
2025-08-31T09:30:56,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz'
2025-08-31T09:30:56,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz'
2025-08-31T09:30:56,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz'
2025-08-31T09:30:56,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz'
2025-08-31T09:30:56,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz'
2025-08-31T09:30:56,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz'
2025-08-31T09:30:56,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz'
2025-08-31T09:30:56,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz'
2025-08-31T09:30:56,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz'
2025-08-31T09:30:56,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz'
2025-08-31T09:30:56,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz'
2025-08-31T09:30:56,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz'
2025-08-31T09:30:56,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz'
2025-08-31T09:30:56,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz'
2025-08-31T09:30:56,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz'
2025-08-31T09:30:56,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz'
2025-08-31T09:30:56,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz'
2025-08-31T09:30:56,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz'
2025-08-31T09:30:56,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz'
2025-08-31T09:30:56,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz'
2025-08-31T09:30:56,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz'
2025-08-31T09:30:56,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz'
2025-08-31T09:30:56,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz'
2025-08-31T09:30:56,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz'
2025-08-31T09:30:56,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz'
2025-08-31T09:30:56,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz'
2025-08-31T09:30:56,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz'
2025-08-31T09:30:56,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz'
2025-08-31T09:30:56,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz'
2025-08-31T09:30:56,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz'
2025-08-31T09:30:56,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz'
2025-08-31T09:30:56,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz'
2025-08-31T09:30:56,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz'
2025-08-31T09:30:56,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz'
2025-08-31T09:30:56,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz'
2025-08-31T09:30:56,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz'
2025-08-31T09:30:56,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz'
2025-08-31T09:30:56,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz'
2025-08-31T09:30:56,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz'
2025-08-31T09:30:56,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz'
2025-08-31T09:30:56,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz'
2025-08-31T09:30:56,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz'
2025-08-31T09:30:56,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz'
2025-08-31T09:30:56,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz'
2025-08-31T09:30:56,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz'
2025-08-31T09:30:56,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz'
2025-08-31T09:30:56,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz'
2025-08-31T09:30:56,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz'
2025-08-31T09:30:56,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz'
2025-08-31T09:30:56,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz'
2025-08-31T09:30:56,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz'
2025-08-31T09:30:56,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz'
2025-08-31T09:30:56,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz'
2025-08-31T09:30:56,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz'
2025-08-31T09:30:56,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz'
2025-08-31T09:30:56,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz'
2025-08-31T09:30:56,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz'
2025-08-31T09:30:56,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz'
2025-08-31T09:30:56,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz'
2025-08-31T09:30:56,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz'
2025-08-31T09:30:56,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz'
2025-08-31T09:30:56,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz'
2025-08-31T09:30:56,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz'
2025-08-31T09:30:56,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz'
2025-08-31T09:30:56,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz'
2025-08-31T09:30:56,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz'
2025-08-31T09:30:56,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz'
2025-08-31T09:30:56,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz'
2025-08-31T09:30:56,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz'
2025-08-31T09:30:56,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz'
2025-08-31T09:30:56,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz'
2025-08-31T09:30:56,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz'
2025-08-31T09:30:56,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz'
2025-08-31T09:30:56,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz'
2025-08-31T09:30:56,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz'
2025-08-31T09:30:56,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz'
2025-08-31T09:30:56,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz'
2025-08-31T09:30:56,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz'
2025-08-31T09:30:56,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz'
2025-08-31T09:30:56,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz'
2025-08-31T09:30:56,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz'
2025-08-31T09:30:56,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz'
2025-08-31T09:30:56,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz'
2025-08-31T09:30:56,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz'
2025-08-31T09:30:56,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz'
2025-08-31T09:30:56,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz'
2025-08-31T09:30:56,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz'
2025-08-31T09:30:56,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz'
2025-08-31T09:30:56,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz'
2025-08-31T09:30:56,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz'
2025-08-31T09:30:56,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz'
2025-08-31T09:30:56,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz'
2025-08-31T09:30:56,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz'
2025-08-31T09:30:56,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz'
2025-08-31T09:30:56,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz'
2025-08-31T09:30:56,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz'
2025-08-31T09:30:56,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz'
2025-08-31T09:30:56,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz'
2025-08-31T09:30:56,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz'
2025-08-31T09:30:56,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz'
2025-08-31T09:30:56,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz'
2025-08-31T09:30:56,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz'
2025-08-31T09:30:56,802   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz'
2025-08-31T09:30:56,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz'
2025-08-31T09:30:56,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz'
2025-08-31T09:30:56,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz'
2025-08-31T09:30:56,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz'
2025-08-31T09:30:56,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz'
2025-08-31T09:30:56,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz'
2025-08-31T09:30:56,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz'
2025-08-31T09:30:56,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz'
2025-08-31T09:30:56,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz'
2025-08-31T09:30:56,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz'
2025-08-31T09:30:56,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz'
2025-08-31T09:30:56,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz'
2025-08-31T09:30:56,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz'
2025-08-31T09:30:56,831   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz'
2025-08-31T09:30:56,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz'
2025-08-31T09:30:56,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz'
2025-08-31T09:30:56,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz'
2025-08-31T09:30:56,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz'
2025-08-31T09:30:56,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz'
2025-08-31T09:30:56,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz'
2025-08-31T09:30:56,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz'
2025-08-31T09:30:56,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz'
2025-08-31T09:30:56,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz'
2025-08-31T09:30:56,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz'
2025-08-31T09:30:56,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz'
2025-08-31T09:30:56,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz'
2025-08-31T09:30:56,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz'
2025-08-31T09:30:56,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz'
2025-08-31T09:30:56,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz'
2025-08-31T09:30:56,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz'
2025-08-31T09:30:56,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz'
2025-08-31T09:30:56,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz'
2025-08-31T09:30:56,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz'
2025-08-31T09:30:56,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz'
2025-08-31T09:30:56,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz'
2025-08-31T09:30:56,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz'
2025-08-31T09:30:56,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz'
2025-08-31T09:30:56,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz'
2025-08-31T09:30:56,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz'
2025-08-31T09:30:56,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz'
2025-08-31T09:30:56,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz'
2025-08-31T09:30:56,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz'
2025-08-31T09:30:56,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz'
2025-08-31T09:30:56,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz'
2025-08-31T09:30:56,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz'
2025-08-31T09:30:56,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz'
2025-08-31T09:30:56,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz'
2025-08-31T09:30:56,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz'
2025-08-31T09:30:56,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz'
2025-08-31T09:30:56,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz'
2025-08-31T09:30:56,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz'
2025-08-31T09:30:56,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz'
2025-08-31T09:30:56,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz'
2025-08-31T09:30:56,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz'
2025-08-31T09:30:56,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz'
2025-08-31T09:30:56,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz'
2025-08-31T09:30:56,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz'
2025-08-31T09:30:56,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz'
2025-08-31T09:30:56,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz'
2025-08-31T09:30:56,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz'
2025-08-31T09:30:56,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz'
2025-08-31T09:30:56,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz'
2025-08-31T09:30:56,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz'
2025-08-31T09:30:56,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz'
2025-08-31T09:30:56,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz'
2025-08-31T09:30:56,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz'
2025-08-31T09:30:56,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz'
2025-08-31T09:30:56,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz'
2025-08-31T09:30:56,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz'
2025-08-31T09:30:56,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz'
2025-08-31T09:30:56,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz'
2025-08-31T09:30:56,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz'
2025-08-31T09:30:56,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz'
2025-08-31T09:30:56,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz'
2025-08-31T09:30:56,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz'
2025-08-31T09:30:56,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz'
2025-08-31T09:30:56,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz'
2025-08-31T09:30:56,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz'
2025-08-31T09:30:56,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz'
2025-08-31T09:30:56,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz'
2025-08-31T09:30:56,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz'
2025-08-31T09:30:56,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz'
2025-08-31T09:30:56,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz'
2025-08-31T09:30:56,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz'
2025-08-31T09:30:56,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz'
2025-08-31T09:30:56,969   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz'
2025-08-31T09:30:56,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz'
2025-08-31T09:30:56,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz'
2025-08-31T09:30:56,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz'
2025-08-31T09:30:56,976   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz'
2025-08-31T09:30:56,978   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz'
2025-08-31T09:30:56,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz'
2025-08-31T09:30:56,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz'
2025-08-31T09:30:56,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz'
2025-08-31T09:30:56,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz'
2025-08-31T09:30:56,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz'
2025-08-31T09:30:56,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz'
2025-08-31T09:30:56,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz'
2025-08-31T09:30:56,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz'
2025-08-31T09:30:56,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz'
2025-08-31T09:30:56,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz'
2025-08-31T09:30:56,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz'
2025-08-31T09:30:56,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz'
2025-08-31T09:30:57,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz'
2025-08-31T09:30:57,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz'
2025-08-31T09:30:57,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz'
2025-08-31T09:30:57,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz'
2025-08-31T09:30:57,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz'
2025-08-31T09:30:57,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz'
2025-08-31T09:30:57,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz'
2025-08-31T09:30:57,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz'
2025-08-31T09:30:57,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz'
2025-08-31T09:30:57,020   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz'
2025-08-31T09:30:57,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz'
2025-08-31T09:30:57,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz'
2025-08-31T09:30:57,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz'
2025-08-31T09:30:57,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz'
2025-08-31T09:30:57,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz'
2025-08-31T09:30:57,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz'
2025-08-31T09:30:57,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz'
2025-08-31T09:30:57,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz'
2025-08-31T09:30:57,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz'
2025-08-31T09:30:57,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz'
2025-08-31T09:30:57,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz'
2025-08-31T09:30:57,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz'
2025-08-31T09:30:57,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz'
2025-08-31T09:30:57,045   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz'
2025-08-31T09:30:57,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz'
2025-08-31T09:30:57,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz'
2025-08-31T09:30:57,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz'
2025-08-31T09:30:57,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz'
2025-08-31T09:30:57,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz'
2025-08-31T09:30:57,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz'
2025-08-31T09:30:57,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz'
2025-08-31T09:30:57,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz'
2025-08-31T09:30:57,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz'
2025-08-31T09:30:57,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz'
2025-08-31T09:30:57,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz'
2025-08-31T09:30:57,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz'
2025-08-31T09:30:57,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz'
2025-08-31T09:30:57,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz'
2025-08-31T09:30:57,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz'
2025-08-31T09:30:57,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz'
2025-08-31T09:30:57,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz'
2025-08-31T09:30:57,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz'
2025-08-31T09:30:57,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz'
2025-08-31T09:30:57,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz'
2025-08-31T09:30:57,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz'
2025-08-31T09:30:57,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz'
2025-08-31T09:30:57,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz'
2025-08-31T09:30:57,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz'
2025-08-31T09:30:57,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz'
2025-08-31T09:30:57,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz'
2025-08-31T09:30:57,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz'
2025-08-31T09:30:57,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz'
2025-08-31T09:30:57,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz'
2025-08-31T09:30:57,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz'
2025-08-31T09:30:57,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz'
2025-08-31T09:30:57,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz'
2025-08-31T09:30:57,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz'
2025-08-31T09:30:57,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz'
2025-08-31T09:30:57,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz'
2025-08-31T09:30:57,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz'
2025-08-31T09:30:57,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz'
2025-08-31T09:30:57,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz'
2025-08-31T09:30:57,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz'
2025-08-31T09:30:57,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz'
2025-08-31T09:30:57,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz'
2025-08-31T09:30:57,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz'
2025-08-31T09:30:57,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz'
2025-08-31T09:30:57,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz'
2025-08-31T09:30:57,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz'
2025-08-31T09:30:57,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz'
2025-08-31T09:30:57,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz'
2025-08-31T09:30:57,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz'
2025-08-31T09:30:57,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz'
2025-08-31T09:30:57,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz'
2025-08-31T09:30:57,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz'
2025-08-31T09:30:57,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz'
2025-08-31T09:30:57,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz'
2025-08-31T09:30:57,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz'
2025-08-31T09:30:57,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz'
2025-08-31T09:30:57,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz'
2025-08-31T09:30:57,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz'
2025-08-31T09:30:57,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz'
2025-08-31T09:30:57,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz'
2025-08-31T09:30:57,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz'
2025-08-31T09:30:57,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz'
2025-08-31T09:30:57,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz'
2025-08-31T09:30:57,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz'
2025-08-31T09:30:57,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz'
2025-08-31T09:30:57,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz'
2025-08-31T09:30:57,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz'
2025-08-31T09:30:57,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz'
2025-08-31T09:30:57,162   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz'
2025-08-31T09:30:57,164   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz'
2025-08-31T09:30:57,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz'
2025-08-31T09:30:57,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz'
2025-08-31T09:30:57,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz'
2025-08-31T09:30:57,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz'
2025-08-31T09:30:57,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz'
2025-08-31T09:30:57,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz'
2025-08-31T09:30:57,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz'
2025-08-31T09:30:57,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz'
2025-08-31T09:30:57,180   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz'
2025-08-31T09:30:57,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz'
2025-08-31T09:30:57,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz'
2025-08-31T09:30:57,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz'
2025-08-31T09:30:57,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz'
2025-08-31T09:30:57,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz'
2025-08-31T09:30:57,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz'
2025-08-31T09:30:57,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz'
2025-08-31T09:30:57,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz'
2025-08-31T09:30:57,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz'
2025-08-31T09:30:57,198   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz'
2025-08-31T09:30:57,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz'
2025-08-31T09:30:57,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz'
2025-08-31T09:30:57,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25/struc.xyz'
2025-08-31T09:30:57,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5/struc.xyz'
2025-08-31T09:30:57,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75/struc.xyz'
2025-08-31T09:30:57,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz'
2025-08-31T09:30:57,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz'
2025-08-31T09:30:57,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz'
2025-08-31T09:30:57,213   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz'
2025-08-31T09:30:57,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz'
2025-08-31T09:30:57,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz'
2025-08-31T09:30:57,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz'
2025-08-31T09:30:57,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz'
2025-08-31T09:30:57,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz'
2025-08-31T09:30:57,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz'
2025-08-31T09:30:57,225   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz'
2025-08-31T09:30:57,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz'
2025-08-31T09:30:57,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz'
2025-08-31T09:30:57,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz'
2025-08-31T09:30:57,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz'
2025-08-31T09:30:57,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz'
2025-08-31T09:30:57,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz'
2025-08-31T09:30:57,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz'
2025-08-31T09:30:57,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz'
2025-08-31T09:30:57,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz'
2025-08-31T09:30:57,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz'
2025-08-31T09:30:57,243   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz'
2025-08-31T09:30:57,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz'
2025-08-31T09:30:57,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz'
2025-08-31T09:30:57,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz'
2025-08-31T09:30:57,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz'
2025-08-31T09:30:57,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz'
2025-08-31T09:30:57,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz'
2025-08-31T09:30:57,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz'
2025-08-31T09:30:57,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz'
2025-08-31T09:30:57,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz'
2025-08-31T09:30:57,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz'
2025-08-31T09:30:57,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz'
2025-08-31T09:30:57,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz'
2025-08-31T09:30:57,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz'
2025-08-31T09:30:57,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz'
2025-08-31T09:30:57,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz'
2025-08-31T09:30:57,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:57,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz'
2025-08-31T09:30:57,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz'
2025-08-31T09:30:57,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz'
2025-08-31T09:30:57,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz'
2025-08-31T09:30:57,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz'
2025-08-31T09:30:57,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz'
2025-08-31T09:30:57,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz'
2025-08-31T09:30:57,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz'
2025-08-31T09:30:57,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz'
2025-08-31T09:30:57,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz'
2025-08-31T09:30:57,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz'
2025-08-31T09:30:57,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz'
2025-08-31T09:30:57,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz'
2025-08-31T09:30:57,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz'
2025-08-31T09:30:57,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz'
2025-08-31T09:30:57,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz'
2025-08-31T09:30:57,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz'
2025-08-31T09:30:57,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz'
2025-08-31T09:30:57,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz'
2025-08-31T09:30:57,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz'
2025-08-31T09:30:57,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz'
2025-08-31T09:30:57,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz'
2025-08-31T09:30:57,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz'
2025-08-31T09:30:57,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz'
2025-08-31T09:30:57,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz'
2025-08-31T09:30:57,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz'
2025-08-31T09:30:57,318   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz'
2025-08-31T09:30:57,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz'
2025-08-31T09:30:57,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz'
2025-08-31T09:30:57,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz'
2025-08-31T09:30:57,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz'
2025-08-31T09:30:57,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz'
2025-08-31T09:30:57,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz'
2025-08-31T09:30:57,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz'
2025-08-31T09:30:57,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz'
2025-08-31T09:30:57,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz'
2025-08-31T09:30:57,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz'
2025-08-31T09:30:57,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz'
2025-08-31T09:30:57,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz'
2025-08-31T09:30:57,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz'
2025-08-31T09:30:57,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz'
2025-08-31T09:30:57,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz'
2025-08-31T09:30:57,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz'
2025-08-31T09:30:57,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz'
2025-08-31T09:30:57,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz'
2025-08-31T09:30:57,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz'
2025-08-31T09:30:57,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz'
2025-08-31T09:30:57,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz'
2025-08-31T09:30:57,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz'
2025-08-31T09:30:57,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz'
2025-08-31T09:30:57,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz'
2025-08-31T09:30:57,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz'
2025-08-31T09:30:57,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz'
2025-08-31T09:30:57,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz'
2025-08-31T09:30:57,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz'
2025-08-31T09:30:57,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz'
2025-08-31T09:30:57,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz'
2025-08-31T09:30:57,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz'
2025-08-31T09:30:57,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz'
2025-08-31T09:30:57,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz'
2025-08-31T09:30:57,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz'
2025-08-31T09:30:57,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz'
2025-08-31T09:30:57,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz'
2025-08-31T09:30:57,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz'
2025-08-31T09:30:57,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz'
2025-08-31T09:30:57,394   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz'
2025-08-31T09:30:57,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz'
2025-08-31T09:30:57,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz'
2025-08-31T09:30:57,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz'
2025-08-31T09:30:57,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz'
2025-08-31T09:30:57,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz'
2025-08-31T09:30:57,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz'
2025-08-31T09:30:57,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz'
2025-08-31T09:30:57,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz'
2025-08-31T09:30:57,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz'
2025-08-31T09:30:57,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz'
2025-08-31T09:30:57,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz'
2025-08-31T09:30:57,418   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz'
2025-08-31T09:30:57,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz'
2025-08-31T09:30:57,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz'
2025-08-31T09:30:57,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz'
2025-08-31T09:30:57,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz'
2025-08-31T09:30:57,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz'
2025-08-31T09:30:57,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz'
2025-08-31T09:30:57,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz'
2025-08-31T09:30:57,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz'
2025-08-31T09:30:57,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz'
2025-08-31T09:30:57,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz'
2025-08-31T09:30:57,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz'
2025-08-31T09:30:57,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz'
2025-08-31T09:30:57,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz'
2025-08-31T09:30:57,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh/struc.xyz'
2025-08-31T09:30:57,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono/struc.xyz'
2025-08-31T09:30:57,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo/struc.xyz'
2025-08-31T09:30:57,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2/struc.xyz'
2025-08-31T09:30:57,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz'
2025-08-31T09:30:57,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz'
2025-08-31T09:30:57,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz'
2025-08-31T09:30:57,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz'
2025-08-31T09:30:57,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz'
2025-08-31T09:30:57,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz'
2025-08-31T09:30:57,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz'
2025-08-31T09:30:57,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz'
2025-08-31T09:30:57,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz'
2025-08-31T09:30:57,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz'
2025-08-31T09:30:57,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz'
2025-08-31T09:30:57,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz'
2025-08-31T09:30:57,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing/struc.xyz'
2025-08-31T09:30:57,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip/struc.xyz'
2025-08-31T09:30:57,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz'
2025-08-31T09:30:57,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz'
2025-08-31T09:30:57,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz'
2025-08-31T09:30:57,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz'
2025-08-31T09:30:57,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz'
2025-08-31T09:30:57,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz'
2025-08-31T09:30:57,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz'
2025-08-31T09:30:57,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz'
2025-08-31T09:30:57,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz'
2025-08-31T09:30:57,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz'
2025-08-31T09:30:57,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz'
2025-08-31T09:30:57,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz'
2025-08-31T09:30:57,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz'
2025-08-31T09:30:57,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz'
2025-08-31T09:30:57,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz'
2025-08-31T09:30:57,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz'
2025-08-31T09:30:57,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz'
2025-08-31T09:30:57,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz'
2025-08-31T09:30:57,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz'
2025-08-31T09:30:57,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz'
2025-08-31T09:30:57,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz'
2025-08-31T09:30:57,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz'
2025-08-31T09:30:57,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz'
2025-08-31T09:30:57,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz'
2025-08-31T09:30:57,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz'
2025-08-31T09:30:57,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz'
2025-08-31T09:30:57,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz'
2025-08-31T09:30:57,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz'
2025-08-31T09:30:57,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz'
2025-08-31T09:30:57,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz'
2025-08-31T09:30:57,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz'
2025-08-31T09:30:57,525   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz'
2025-08-31T09:30:57,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz'
2025-08-31T09:30:57,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz'
2025-08-31T09:30:57,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz'
2025-08-31T09:30:57,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz'
2025-08-31T09:30:57,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz'
2025-08-31T09:30:57,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz'
2025-08-31T09:30:57,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz'
2025-08-31T09:30:57,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz'
2025-08-31T09:30:57,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz'
2025-08-31T09:30:57,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz'
2025-08-31T09:30:57,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz'
2025-08-31T09:30:57,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz'
2025-08-31T09:30:57,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz'
2025-08-31T09:30:57,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz'
2025-08-31T09:30:57,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz'
2025-08-31T09:30:57,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz'
2025-08-31T09:30:57,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz'
2025-08-31T09:30:57,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz'
2025-08-31T09:30:57,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz'
2025-08-31T09:30:57,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz'
2025-08-31T09:30:57,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz'
2025-08-31T09:30:57,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz'
2025-08-31T09:30:57,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz'
2025-08-31T09:30:57,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz'
2025-08-31T09:30:57,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz'
2025-08-31T09:30:57,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz'
2025-08-31T09:30:57,572   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz'
2025-08-31T09:30:57,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz'
2025-08-31T09:30:57,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz'
2025-08-31T09:30:57,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz'
2025-08-31T09:30:57,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz'
2025-08-31T09:30:57,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz'
2025-08-31T09:30:57,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz'
2025-08-31T09:30:57,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz'
2025-08-31T09:30:57,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz'
2025-08-31T09:30:57,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz'
2025-08-31T09:30:57,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz'
2025-08-31T09:30:57,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz'
2025-08-31T09:30:57,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz'
2025-08-31T09:30:57,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz'
2025-08-31T09:30:57,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz'
2025-08-31T09:30:57,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz'
2025-08-31T09:30:57,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz'
2025-08-31T09:30:57,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz'
2025-08-31T09:30:57,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz'
2025-08-31T09:30:57,606   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz'
2025-08-31T09:30:57,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz'
2025-08-31T09:30:57,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz'
2025-08-31T09:30:57,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz'
2025-08-31T09:30:57,613   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz'
2025-08-31T09:30:57,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz'
2025-08-31T09:30:57,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz'
2025-08-31T09:30:57,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz'
2025-08-31T09:30:57,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz'
2025-08-31T09:30:57,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz'
2025-08-31T09:30:57,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz'
2025-08-31T09:30:57,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz'
2025-08-31T09:30:57,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz'
2025-08-31T09:30:57,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz'
2025-08-31T09:30:57,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz'
2025-08-31T09:30:57,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v/struc.xyz'
2025-08-31T09:30:57,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz'
2025-08-31T09:30:57,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz'
2025-08-31T09:30:57,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz'
2025-08-31T09:30:57,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz'
2025-08-31T09:30:57,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz'
2025-08-31T09:30:57,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz'
2025-08-31T09:30:57,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz'
2025-08-31T09:30:57,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz'
2025-08-31T09:30:57,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz'
2025-08-31T09:30:57,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz'
2025-08-31T09:30:57,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz'
2025-08-31T09:30:57,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz'
2025-08-31T09:30:57,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh/struc.xyz'
2025-08-31T09:30:57,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono/struc.xyz'
2025-08-31T09:30:57,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo/struc.xyz'
2025-08-31T09:30:57,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2/struc.xyz'
2025-08-31T09:30:57,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz'
2025-08-31T09:30:57,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz'
2025-08-31T09:30:57,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz'
2025-08-31T09:30:57,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz'
2025-08-31T09:30:57,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz'
2025-08-31T09:30:57,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz'
2025-08-31T09:30:57,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz'
2025-08-31T09:30:57,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz'
2025-08-31T09:30:57,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz'
2025-08-31T09:30:57,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz'
2025-08-31T09:30:57,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz'
2025-08-31T09:30:57,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz'
2025-08-31T09:30:57,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz'
2025-08-31T09:30:57,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz'
2025-08-31T09:30:57,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz'
2025-08-31T09:30:57,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz'
2025-08-31T09:30:57,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz'
2025-08-31T09:30:57,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz'
2025-08-31T09:30:57,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz'
2025-08-31T09:30:57,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz'
2025-08-31T09:30:57,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz'
2025-08-31T09:30:57,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz'
2025-08-31T09:30:57,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz'
2025-08-31T09:30:57,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz'
2025-08-31T09:30:57,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz'
2025-08-31T09:30:57,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz'
2025-08-31T09:30:57,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz'
2025-08-31T09:30:57,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz'
2025-08-31T09:30:57,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz'
2025-08-31T09:30:57,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz'
2025-08-31T09:30:57,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz'
2025-08-31T09:30:57,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz'
2025-08-31T09:30:57,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz'
2025-08-31T09:30:57,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz'
2025-08-31T09:30:57,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz'
2025-08-31T09:30:57,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz'
2025-08-31T09:30:57,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz'
2025-08-31T09:30:57,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz'
2025-08-31T09:30:57,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz'
2025-08-31T09:30:57,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz'
2025-08-31T09:30:57,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz'
2025-08-31T09:30:57,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz'
2025-08-31T09:30:57,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz'
2025-08-31T09:30:57,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz'
2025-08-31T09:30:57,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz'
2025-08-31T09:30:57,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz'
2025-08-31T09:30:57,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz'
2025-08-31T09:30:57,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz'
2025-08-31T09:30:57,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz'
2025-08-31T09:30:57,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz'
2025-08-31T09:30:57,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz'
2025-08-31T09:30:57,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz'
2025-08-31T09:30:57,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz'
2025-08-31T09:30:57,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz'
2025-08-31T09:30:57,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz'
2025-08-31T09:30:57,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz'
2025-08-31T09:30:57,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz'
2025-08-31T09:30:57,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz'
2025-08-31T09:30:57,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz'
2025-08-31T09:30:57,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz'
2025-08-31T09:30:57,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz'
2025-08-31T09:30:57,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz'
2025-08-31T09:30:57,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz'
2025-08-31T09:30:57,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz'
2025-08-31T09:30:57,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz'
2025-08-31T09:30:57,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz'
2025-08-31T09:30:57,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz'
2025-08-31T09:30:57,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz'
2025-08-31T09:30:57,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz'
2025-08-31T09:30:57,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz'
2025-08-31T09:30:57,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz'
2025-08-31T09:30:57,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz'
2025-08-31T09:30:57,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz'
2025-08-31T09:30:57,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz'
2025-08-31T09:30:57,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz'
2025-08-31T09:30:57,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz'
2025-08-31T09:30:57,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz'
2025-08-31T09:30:57,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz'
2025-08-31T09:30:57,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz'
2025-08-31T09:30:57,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz'
2025-08-31T09:30:57,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz'
2025-08-31T09:30:57,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz'
2025-08-31T09:30:57,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz'
2025-08-31T09:30:57,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz'
2025-08-31T09:30:57,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz'
2025-08-31T09:30:57,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz'
2025-08-31T09:30:57,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz'
2025-08-31T09:30:57,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz'
2025-08-31T09:30:57,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz'
2025-08-31T09:30:57,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-/struc.xyz'
2025-08-31T09:30:57,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-/struc.xyz'
2025-08-31T09:30:57,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+/struc.xyz'
2025-08-31T09:30:57,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz'
2025-08-31T09:30:57,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz'
2025-08-31T09:30:57,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz'
2025-08-31T09:30:57,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-/struc.xyz'
2025-08-31T09:30:57,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz'
2025-08-31T09:30:57,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz'
2025-08-31T09:30:57,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz'
2025-08-31T09:30:57,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-/struc.xyz'
2025-08-31T09:30:57,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+/struc.xyz'
2025-08-31T09:30:57,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz'
2025-08-31T09:30:57,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz'
2025-08-31T09:30:57,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz'
2025-08-31T09:30:57,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz'
2025-08-31T09:30:57,854   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz'
2025-08-31T09:30:57,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz'
2025-08-31T09:30:57,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz'
2025-08-31T09:30:57,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz'
2025-08-31T09:30:57,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz'
2025-08-31T09:30:57,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz'
2025-08-31T09:30:57,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz'
2025-08-31T09:30:57,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz'
2025-08-31T09:30:57,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz'
2025-08-31T09:30:57,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz'
2025-08-31T09:30:57,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz'
2025-08-31T09:30:57,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz'
2025-08-31T09:30:57,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz'
2025-08-31T09:30:57,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz'
2025-08-31T09:30:57,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz'
2025-08-31T09:30:57,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz'
2025-08-31T09:30:57,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz'
2025-08-31T09:30:57,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz'
2025-08-31T09:30:57,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz'
2025-08-31T09:30:57,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz'
2025-08-31T09:30:57,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz'
2025-08-31T09:30:57,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz'
2025-08-31T09:30:57,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz'
2025-08-31T09:30:57,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz'
2025-08-31T09:30:57,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz'
2025-08-31T09:30:57,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz'
2025-08-31T09:30:57,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz'
2025-08-31T09:30:57,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz'
2025-08-31T09:30:57,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz'
2025-08-31T09:30:57,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz'
2025-08-31T09:30:57,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz'
2025-08-31T09:30:57,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz'
2025-08-31T09:30:57,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz'
2025-08-31T09:30:57,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz'
2025-08-31T09:30:57,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz'
2025-08-31T09:30:57,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz'
2025-08-31T09:30:57,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz'
2025-08-31T09:30:57,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz'
2025-08-31T09:30:57,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz'
2025-08-31T09:30:57,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz'
2025-08-31T09:30:57,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz'
2025-08-31T09:30:57,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz'
2025-08-31T09:30:57,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz'
2025-08-31T09:30:57,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz'
2025-08-31T09:30:57,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz'
2025-08-31T09:30:57,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz'
2025-08-31T09:30:57,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz'
2025-08-31T09:30:57,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz'
2025-08-31T09:30:57,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz'
2025-08-31T09:30:57,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz'
2025-08-31T09:30:57,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz'
2025-08-31T09:30:57,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz'
2025-08-31T09:30:57,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz'
2025-08-31T09:30:57,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz'
2025-08-31T09:30:57,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz'
2025-08-31T09:30:57,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz'
2025-08-31T09:30:57,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz'
2025-08-31T09:30:57,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz'
2025-08-31T09:30:57,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz'
2025-08-31T09:30:57,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz'
2025-08-31T09:30:57,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz'
2025-08-31T09:30:57,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz'
2025-08-31T09:30:57,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz'
2025-08-31T09:30:57,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz'
2025-08-31T09:30:57,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz'
2025-08-31T09:30:57,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz'
2025-08-31T09:30:57,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz'
2025-08-31T09:30:57,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz'
2025-08-31T09:30:57,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz'
2025-08-31T09:30:57,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz'
2025-08-31T09:30:57,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz'
2025-08-31T09:30:57,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz'
2025-08-31T09:30:57,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz'
2025-08-31T09:30:57,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz'
2025-08-31T09:30:57,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz'
2025-08-31T09:30:57,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz'
2025-08-31T09:30:57,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz'
2025-08-31T09:30:57,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz'
2025-08-31T09:30:57,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz'
2025-08-31T09:30:57,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz'
2025-08-31T09:30:58,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz'
2025-08-31T09:30:58,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz'
2025-08-31T09:30:58,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz'
2025-08-31T09:30:58,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz'
2025-08-31T09:30:58,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz'
2025-08-31T09:30:58,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz'
2025-08-31T09:30:58,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz'
2025-08-31T09:30:58,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz'
2025-08-31T09:30:58,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz'
2025-08-31T09:30:58,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz'
2025-08-31T09:30:58,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz'
2025-08-31T09:30:58,020   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz'
2025-08-31T09:30:58,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz'
2025-08-31T09:30:58,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz'
2025-08-31T09:30:58,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz'
2025-08-31T09:30:58,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz'
2025-08-31T09:30:58,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz'
2025-08-31T09:30:58,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz'
2025-08-31T09:30:58,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2/struc.xyz'
2025-08-31T09:30:58,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz'
2025-08-31T09:30:58,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz'
2025-08-31T09:30:58,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz'
2025-08-31T09:30:58,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz'
2025-08-31T09:30:58,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz'
2025-08-31T09:30:58,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz'
2025-08-31T09:30:58,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz'
2025-08-31T09:30:58,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz'
2025-08-31T09:30:58,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz'
2025-08-31T09:30:58,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz'
2025-08-31T09:30:58,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz'
2025-08-31T09:30:58,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz'
2025-08-31T09:30:58,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz'
2025-08-31T09:30:58,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz'
2025-08-31T09:30:58,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz'
2025-08-31T09:30:58,060   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz'
2025-08-31T09:30:58,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz'
2025-08-31T09:30:58,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz'
2025-08-31T09:30:58,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz'
2025-08-31T09:30:58,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz'
2025-08-31T09:30:58,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz'
2025-08-31T09:30:58,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz'
2025-08-31T09:30:58,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz'
2025-08-31T09:30:58,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz'
2025-08-31T09:30:58,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz'
2025-08-31T09:30:58,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz'
2025-08-31T09:30:58,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz'
2025-08-31T09:30:58,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz'
2025-08-31T09:30:58,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz'
2025-08-31T09:30:58,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz'
2025-08-31T09:30:58,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz'
2025-08-31T09:30:58,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz'
2025-08-31T09:30:58,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz'
2025-08-31T09:30:58,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz'
2025-08-31T09:30:58,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz'
2025-08-31T09:30:58,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz'
2025-08-31T09:30:58,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz'
2025-08-31T09:30:58,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz'
2025-08-31T09:30:58,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz'
2025-08-31T09:30:58,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz'
2025-08-31T09:30:58,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz'
2025-08-31T09:30:58,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz'
2025-08-31T09:30:58,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz'
2025-08-31T09:30:58,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz'
2025-08-31T09:30:58,114   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz'
2025-08-31T09:30:58,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz'
2025-08-31T09:30:58,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz'
2025-08-31T09:30:58,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz'
2025-08-31T09:30:58,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz'
2025-08-31T09:30:58,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz'
2025-08-31T09:30:58,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz'
2025-08-31T09:30:58,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz'
2025-08-31T09:30:58,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz'
2025-08-31T09:30:58,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz'
2025-08-31T09:30:58,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz'
2025-08-31T09:30:58,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz'
2025-08-31T09:30:58,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz'
2025-08-31T09:30:58,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz'
2025-08-31T09:30:58,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz'
2025-08-31T09:30:58,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz'
2025-08-31T09:30:58,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz'
2025-08-31T09:30:58,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz'
2025-08-31T09:30:58,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz'
2025-08-31T09:30:58,150   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz'
2025-08-31T09:30:58,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz'
2025-08-31T09:30:58,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz'
2025-08-31T09:30:58,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz'
2025-08-31T09:30:58,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz'
2025-08-31T09:30:58,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz'
2025-08-31T09:30:58,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz'
2025-08-31T09:30:58,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz'
2025-08-31T09:30:58,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz'
2025-08-31T09:30:58,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz'
2025-08-31T09:30:58,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz'
2025-08-31T09:30:58,171   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz'
2025-08-31T09:30:58,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz'
2025-08-31T09:30:58,175   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz'
2025-08-31T09:30:58,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz'
2025-08-31T09:30:58,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz'
2025-08-31T09:30:58,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz'
2025-08-31T09:30:58,183   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz'
2025-08-31T09:30:58,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz'
2025-08-31T09:30:58,187   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz'
2025-08-31T09:30:58,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz'
2025-08-31T09:30:58,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz'
2025-08-31T09:30:58,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz'
2025-08-31T09:30:58,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz'
2025-08-31T09:30:58,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz'
2025-08-31T09:30:58,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz'
2025-08-31T09:30:58,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz'
2025-08-31T09:30:58,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz'
2025-08-31T09:30:58,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz'
2025-08-31T09:30:58,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz'
2025-08-31T09:30:58,208   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz'
2025-08-31T09:30:58,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz'
2025-08-31T09:30:58,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz'
2025-08-31T09:30:58,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz'
2025-08-31T09:30:58,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz'
2025-08-31T09:30:58,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz'
2025-08-31T09:30:58,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz'
2025-08-31T09:30:58,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz'
2025-08-31T09:30:58,223   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz'
2025-08-31T09:30:58,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz'
2025-08-31T09:30:58,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz'
2025-08-31T09:30:58,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz'
2025-08-31T09:30:58,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz'
2025-08-31T09:30:58,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz'
2025-08-31T09:30:58,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz'
2025-08-31T09:30:58,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz'
2025-08-31T09:30:58,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz'
2025-08-31T09:30:58,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz'
2025-08-31T09:30:58,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz'
2025-08-31T09:30:58,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz'
2025-08-31T09:30:58,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz'
2025-08-31T09:30:58,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz'
2025-08-31T09:30:58,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz'
2025-08-31T09:30:58,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz'
2025-08-31T09:30:58,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz'
2025-08-31T09:30:58,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz'
2025-08-31T09:30:58,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz'
2025-08-31T09:30:58,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz'
2025-08-31T09:30:58,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz'
2025-08-31T09:30:58,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz'
2025-08-31T09:30:58,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz'
2025-08-31T09:30:58,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz'
2025-08-31T09:30:58,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz'
2025-08-31T09:30:58,273   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz'
2025-08-31T09:30:58,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz'
2025-08-31T09:30:58,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz'
2025-08-31T09:30:58,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz'
2025-08-31T09:30:58,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz'
2025-08-31T09:30:58,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz'
2025-08-31T09:30:58,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz'
2025-08-31T09:30:58,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz'
2025-08-31T09:30:58,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz'
2025-08-31T09:30:58,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz'
2025-08-31T09:30:58,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz'
2025-08-31T09:30:58,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz'
2025-08-31T09:30:58,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz'
2025-08-31T09:30:58,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz'
2025-08-31T09:30:58,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz'
2025-08-31T09:30:58,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz'
2025-08-31T09:30:58,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz'
2025-08-31T09:30:58,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz'
2025-08-31T09:30:58,303   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz'
2025-08-31T09:30:58,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz'
2025-08-31T09:30:58,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz'
2025-08-31T09:30:58,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz'
2025-08-31T09:30:58,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz'
2025-08-31T09:30:58,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz'
2025-08-31T09:30:58,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz'
2025-08-31T09:30:58,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz'
2025-08-31T09:30:58,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz'
2025-08-31T09:30:58,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz'
2025-08-31T09:30:58,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz'
2025-08-31T09:30:58,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz'
2025-08-31T09:30:58,324   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz'
2025-08-31T09:30:58,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz'
2025-08-31T09:30:58,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz'
2025-08-31T09:30:58,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz'
2025-08-31T09:30:58,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz'
2025-08-31T09:30:58,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz'
2025-08-31T09:30:58,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz'
2025-08-31T09:30:58,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz'
2025-08-31T09:30:58,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz'
2025-08-31T09:30:58,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz'
2025-08-31T09:30:58,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz'
2025-08-31T09:30:58,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz'
2025-08-31T09:30:58,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz'
2025-08-31T09:30:58,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz'
2025-08-31T09:30:58,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz'
2025-08-31T09:30:58,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz'
2025-08-31T09:30:58,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz'
2025-08-31T09:30:58,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz'
2025-08-31T09:30:58,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz'
2025-08-31T09:30:58,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz'
2025-08-31T09:30:58,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz'
2025-08-31T09:30:58,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz'
2025-08-31T09:30:58,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz'
2025-08-31T09:30:58,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz'
2025-08-31T09:30:58,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz'
2025-08-31T09:30:58,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz'
2025-08-31T09:30:58,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz'
2025-08-31T09:30:58,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz'
2025-08-31T09:30:58,373   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz'
2025-08-31T09:30:58,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz'
2025-08-31T09:30:58,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz'
2025-08-31T09:30:58,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz'
2025-08-31T09:30:58,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz'
2025-08-31T09:30:58,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz'
2025-08-31T09:30:58,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz'
2025-08-31T09:30:58,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz'
2025-08-31T09:30:58,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz'
2025-08-31T09:30:58,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz'
2025-08-31T09:30:58,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz'
2025-08-31T09:30:58,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz'
2025-08-31T09:30:58,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz'
2025-08-31T09:30:58,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz'
2025-08-31T09:30:58,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz'
2025-08-31T09:30:58,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz'
2025-08-31T09:30:58,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz'
2025-08-31T09:30:58,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz'
2025-08-31T09:30:58,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:58,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:58,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz'
2025-08-31T09:30:58,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz'
2025-08-31T09:30:58,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz'
2025-08-31T09:30:58,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz'
2025-08-31T09:30:58,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz'
2025-08-31T09:30:58,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz'
2025-08-31T09:30:58,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz'
2025-08-31T09:30:58,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz'
2025-08-31T09:30:58,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz'
2025-08-31T09:30:58,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz'
2025-08-31T09:30:58,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz'
2025-08-31T09:30:58,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz'
2025-08-31T09:30:58,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz'
2025-08-31T09:30:58,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz'
2025-08-31T09:30:58,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz'
2025-08-31T09:30:58,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz'
2025-08-31T09:30:58,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz'
2025-08-31T09:30:58,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz'
2025-08-31T09:30:58,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz'
2025-08-31T09:30:58,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz'
2025-08-31T09:30:58,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz'
2025-08-31T09:30:58,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz'
2025-08-31T09:30:58,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz'
2025-08-31T09:30:58,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz'
2025-08-31T09:30:58,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz'
2025-08-31T09:30:58,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz'
2025-08-31T09:30:58,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz'
2025-08-31T09:30:58,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz'
2025-08-31T09:30:58,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz'
2025-08-31T09:30:58,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz'
2025-08-31T09:30:58,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz'
2025-08-31T09:30:58,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz'
2025-08-31T09:30:58,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz'
2025-08-31T09:30:58,465   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz'
2025-08-31T09:30:58,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz'
2025-08-31T09:30:58,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz'
2025-08-31T09:30:58,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz'
2025-08-31T09:30:58,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz'
2025-08-31T09:30:58,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz'
2025-08-31T09:30:58,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz'
2025-08-31T09:30:58,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz'
2025-08-31T09:30:58,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz'
2025-08-31T09:30:58,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz'
2025-08-31T09:30:58,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz'
2025-08-31T09:30:58,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz'
2025-08-31T09:30:58,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz'
2025-08-31T09:30:58,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz'
2025-08-31T09:30:58,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz'
2025-08-31T09:30:58,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz'
2025-08-31T09:30:58,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz'
2025-08-31T09:30:58,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz'
2025-08-31T09:30:58,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz'
2025-08-31T09:30:58,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz'
2025-08-31T09:30:58,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz'
2025-08-31T09:30:58,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz'
2025-08-31T09:30:58,502   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz'
2025-08-31T09:30:58,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz'
2025-08-31T09:30:58,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz'
2025-08-31T09:30:58,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz'
2025-08-31T09:30:58,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz'
2025-08-31T09:30:58,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz'
2025-08-31T09:30:58,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz'
2025-08-31T09:30:58,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz'
2025-08-31T09:30:58,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz'
2025-08-31T09:30:58,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz'
2025-08-31T09:30:58,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz'
2025-08-31T09:30:58,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz'
2025-08-31T09:30:58,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz'
2025-08-31T09:30:58,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz'
2025-08-31T09:30:58,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz'
2025-08-31T09:30:58,527   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz'
2025-08-31T09:30:58,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz'
2025-08-31T09:30:58,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz'
2025-08-31T09:30:58,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz'
2025-08-31T09:30:58,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz'
2025-08-31T09:30:58,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz'
2025-08-31T09:30:58,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz'
2025-08-31T09:30:58,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz'
2025-08-31T09:30:58,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz'
2025-08-31T09:30:58,544   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz'
2025-08-31T09:30:58,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz'
2025-08-31T09:30:58,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz'
2025-08-31T09:30:58,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz'
2025-08-31T09:30:58,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz'
2025-08-31T09:30:58,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz'
2025-08-31T09:30:58,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz'
2025-08-31T09:30:58,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz'
2025-08-31T09:30:58,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz'
2025-08-31T09:30:58,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz'
2025-08-31T09:30:58,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz'
2025-08-31T09:30:58,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz'
2025-08-31T09:30:58,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz'
2025-08-31T09:30:58,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz'
2025-08-31T09:30:58,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz'
2025-08-31T09:30:58,570   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz'
2025-08-31T09:30:58,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz'
2025-08-31T09:30:58,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz'
2025-08-31T09:30:58,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz'
2025-08-31T09:30:58,577   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz'
2025-08-31T09:30:58,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz'
2025-08-31T09:30:58,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz'
2025-08-31T09:30:58,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz'
2025-08-31T09:30:58,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz'
2025-08-31T09:30:58,586   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz'
2025-08-31T09:30:58,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz'
2025-08-31T09:30:58,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz'
2025-08-31T09:30:58,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz'
2025-08-31T09:30:58,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz'
2025-08-31T09:30:58,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz'
2025-08-31T09:30:58,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz'
2025-08-31T09:30:58,598   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz'
2025-08-31T09:30:58,600   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz'
2025-08-31T09:30:58,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz'
2025-08-31T09:30:58,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz'
2025-08-31T09:30:58,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz'
2025-08-31T09:30:58,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz'
2025-08-31T09:30:58,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz'
2025-08-31T09:30:58,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz'
2025-08-31T09:30:58,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz'
2025-08-31T09:30:58,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz'
2025-08-31T09:30:58,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz'
2025-08-31T09:30:58,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz'
2025-08-31T09:30:58,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz'
2025-08-31T09:30:58,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz'
2025-08-31T09:30:58,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz'
2025-08-31T09:30:58,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz'
2025-08-31T09:30:58,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz'
2025-08-31T09:30:58,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz'
2025-08-31T09:30:58,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz'
2025-08-31T09:30:58,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz'
2025-08-31T09:30:58,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz'
2025-08-31T09:30:58,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz'
2025-08-31T09:30:58,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz'
2025-08-31T09:30:58,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz'
2025-08-31T09:30:58,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz'
2025-08-31T09:30:58,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz'
2025-08-31T09:30:58,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz'
2025-08-31T09:30:58,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz'
2025-08-31T09:30:58,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz'
2025-08-31T09:30:58,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz'
2025-08-31T09:30:58,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz'
2025-08-31T09:30:58,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz'
2025-08-31T09:30:58,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz'
2025-08-31T09:30:58,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz'
2025-08-31T09:30:58,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz'
2025-08-31T09:30:58,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz'
2025-08-31T09:30:58,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz'
2025-08-31T09:30:58,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz'
2025-08-31T09:30:58,668   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz'
2025-08-31T09:30:58,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz'
2025-08-31T09:30:58,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz'
2025-08-31T09:30:58,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz'
2025-08-31T09:30:58,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz'
2025-08-31T09:30:58,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz'
2025-08-31T09:30:58,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz'
2025-08-31T09:30:58,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz'
2025-08-31T09:30:58,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz'
2025-08-31T09:30:58,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz'
2025-08-31T09:30:58,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz'
2025-08-31T09:30:58,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz'
2025-08-31T09:30:58,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz'
2025-08-31T09:30:58,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz'
2025-08-31T09:30:58,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz'
2025-08-31T09:30:58,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz'
2025-08-31T09:30:58,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz'
2025-08-31T09:30:58,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz'
2025-08-31T09:30:58,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz'
2025-08-31T09:30:58,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz'
2025-08-31T09:30:58,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz'
2025-08-31T09:30:58,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz'
2025-08-31T09:30:58,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz'
2025-08-31T09:30:58,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz'
2025-08-31T09:30:58,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz'
2025-08-31T09:30:58,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz'
2025-08-31T09:30:58,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz'
2025-08-31T09:30:58,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz'
2025-08-31T09:30:58,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz'
2025-08-31T09:30:58,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz'
2025-08-31T09:30:58,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz'
2025-08-31T09:30:58,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz'
2025-08-31T09:30:58,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz'
2025-08-31T09:30:58,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz'
2025-08-31T09:30:58,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz'
2025-08-31T09:30:58,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz'
2025-08-31T09:30:58,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz'
2025-08-31T09:30:58,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz'
2025-08-31T09:30:58,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz'
2025-08-31T09:30:58,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz'
2025-08-31T09:30:58,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz'
2025-08-31T09:30:58,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz'
2025-08-31T09:30:58,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz'
2025-08-31T09:30:58,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz'
2025-08-31T09:30:58,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz'
2025-08-31T09:30:58,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz'
2025-08-31T09:30:58,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz'
2025-08-31T09:30:58,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz'
2025-08-31T09:30:58,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz'
2025-08-31T09:30:58,757   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz'
2025-08-31T09:30:58,759   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz'
2025-08-31T09:30:58,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz'
2025-08-31T09:30:58,762   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz'
2025-08-31T09:30:58,764   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz'
2025-08-31T09:30:58,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz'
2025-08-31T09:30:58,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz'
2025-08-31T09:30:58,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz'
2025-08-31T09:30:58,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz'
2025-08-31T09:30:58,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz'
2025-08-31T09:30:58,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz'
2025-08-31T09:30:58,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz'
2025-08-31T09:30:58,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz'
2025-08-31T09:30:58,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz'
2025-08-31T09:30:58,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz'
2025-08-31T09:30:58,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz'
2025-08-31T09:30:58,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz'
2025-08-31T09:30:58,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz'
2025-08-31T09:30:58,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz'
2025-08-31T09:30:58,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz'
2025-08-31T09:30:58,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz'
2025-08-31T09:30:58,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz'
2025-08-31T09:30:58,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz'
2025-08-31T09:30:58,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz'
2025-08-31T09:30:58,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz'
2025-08-31T09:30:58,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz'
2025-08-31T09:30:58,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz'
2025-08-31T09:30:58,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz'
2025-08-31T09:30:58,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz'
2025-08-31T09:30:58,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz'
2025-08-31T09:30:58,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz'
2025-08-31T09:30:58,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz'
2025-08-31T09:30:58,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz'
2025-08-31T09:30:58,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz'
2025-08-31T09:30:58,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz'
2025-08-31T09:30:58,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz'
2025-08-31T09:30:58,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz'
2025-08-31T09:30:58,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz'
2025-08-31T09:30:58,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz'
2025-08-31T09:30:58,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz'
2025-08-31T09:30:58,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz'
2025-08-31T09:30:58,831   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz'
2025-08-31T09:30:58,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz'
2025-08-31T09:30:58,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz'
2025-08-31T09:30:58,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz'
2025-08-31T09:30:58,838   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz'
2025-08-31T09:30:58,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz'
2025-08-31T09:30:58,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz'
2025-08-31T09:30:58,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz'
2025-08-31T09:30:58,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz'
2025-08-31T09:30:58,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz'
2025-08-31T09:30:58,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz'
2025-08-31T09:30:58,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz'
2025-08-31T09:30:58,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz'
2025-08-31T09:30:58,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz'
2025-08-31T09:30:58,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz'
2025-08-31T09:30:58,859   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz'
2025-08-31T09:30:58,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz'
2025-08-31T09:30:58,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz'
2025-08-31T09:30:58,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz'
2025-08-31T09:30:58,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz'
2025-08-31T09:30:58,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz'
2025-08-31T09:30:58,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz'
2025-08-31T09:30:58,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz'
2025-08-31T09:30:58,874   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz'
2025-08-31T09:30:58,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz'
2025-08-31T09:30:58,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz'
2025-08-31T09:30:58,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz'
2025-08-31T09:30:58,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz'
2025-08-31T09:30:58,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz'
2025-08-31T09:30:58,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz'
2025-08-31T09:30:58,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz'
2025-08-31T09:30:58,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz'
2025-08-31T09:30:58,890   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz'
2025-08-31T09:30:58,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz'
2025-08-31T09:30:58,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz'
2025-08-31T09:30:58,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz'
2025-08-31T09:30:58,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz'
2025-08-31T09:30:58,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz'
2025-08-31T09:30:58,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz'
2025-08-31T09:30:58,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz'
2025-08-31T09:30:58,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz'
2025-08-31T09:30:58,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz'
2025-08-31T09:30:58,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz'
2025-08-31T09:30:58,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz'
2025-08-31T09:30:58,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz'
2025-08-31T09:30:58,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz'
2025-08-31T09:30:58,914   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz'
2025-08-31T09:30:58,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz'
2025-08-31T09:30:58,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz'
2025-08-31T09:30:58,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz'
2025-08-31T09:30:58,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz'
2025-08-31T09:30:58,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz'
2025-08-31T09:30:58,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz'
2025-08-31T09:30:58,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz'
2025-08-31T09:30:58,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz'
2025-08-31T09:30:58,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz'
2025-08-31T09:30:58,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz'
2025-08-31T09:30:58,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz'
2025-08-31T09:30:58,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz'
2025-08-31T09:30:58,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz'
2025-08-31T09:30:58,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz'
2025-08-31T09:30:58,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz'
2025-08-31T09:30:58,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz'
2025-08-31T09:30:58,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz'
2025-08-31T09:30:58,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz'
2025-08-31T09:30:58,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz'
2025-08-31T09:30:58,949   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz'
2025-08-31T09:30:58,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz'
2025-08-31T09:30:58,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz'
2025-08-31T09:30:58,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz'
2025-08-31T09:30:58,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz'
2025-08-31T09:30:58,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz'
2025-08-31T09:30:58,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz'
2025-08-31T09:30:58,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz'
2025-08-31T09:30:58,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz'
2025-08-31T09:30:58,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz'
2025-08-31T09:30:58,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz'
2025-08-31T09:30:58,969   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz'
2025-08-31T09:30:58,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz'
2025-08-31T09:30:58,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz'
2025-08-31T09:30:58,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz'
2025-08-31T09:30:58,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz'
2025-08-31T09:30:58,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz'
2025-08-31T09:30:58,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz'
2025-08-31T09:30:58,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz'
2025-08-31T09:30:58,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz'
2025-08-31T09:30:58,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz'
2025-08-31T09:30:58,988   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz'
2025-08-31T09:30:58,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz'
2025-08-31T09:30:58,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz'
2025-08-31T09:30:58,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz'
2025-08-31T09:30:58,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz'
2025-08-31T09:30:58,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz'
2025-08-31T09:30:58,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz'
2025-08-31T09:30:59,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz'
2025-08-31T09:30:59,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz'
2025-08-31T09:30:59,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz'
2025-08-31T09:30:59,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz'
2025-08-31T09:30:59,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz'
2025-08-31T09:30:59,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz'
2025-08-31T09:30:59,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz'
2025-08-31T09:30:59,013   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz'
2025-08-31T09:30:59,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz'
2025-08-31T09:30:59,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz'
2025-08-31T09:30:59,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz'
2025-08-31T09:30:59,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz'
2025-08-31T09:30:59,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz'
2025-08-31T09:30:59,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz'
2025-08-31T09:30:59,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz'
2025-08-31T09:30:59,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz'
2025-08-31T09:30:59,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz'
2025-08-31T09:30:59,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz'
2025-08-31T09:30:59,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz'
2025-08-31T09:30:59,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz'
2025-08-31T09:30:59,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz'
2025-08-31T09:30:59,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz'
2025-08-31T09:30:59,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz'
2025-08-31T09:30:59,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz'
2025-08-31T09:30:59,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz'
2025-08-31T09:30:59,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz'
2025-08-31T09:30:59,048   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz'
2025-08-31T09:30:59,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz'
2025-08-31T09:30:59,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz'
2025-08-31T09:30:59,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz'
2025-08-31T09:30:59,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz'
2025-08-31T09:30:59,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz'
2025-08-31T09:30:59,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz'
2025-08-31T09:30:59,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz'
2025-08-31T09:30:59,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz'
2025-08-31T09:30:59,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz'
2025-08-31T09:30:59,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz'
2025-08-31T09:30:59,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz'
2025-08-31T09:30:59,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz'
2025-08-31T09:30:59,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz'
2025-08-31T09:30:59,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz'
2025-08-31T09:30:59,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz'
2025-08-31T09:30:59,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz'
2025-08-31T09:30:59,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz'
2025-08-31T09:30:59,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz'
2025-08-31T09:30:59,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz'
2025-08-31T09:30:59,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz'
2025-08-31T09:30:59,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz'
2025-08-31T09:30:59,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz'
2025-08-31T09:30:59,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz'
2025-08-31T09:30:59,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz'
2025-08-31T09:30:59,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz'
2025-08-31T09:30:59,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz'
2025-08-31T09:30:59,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz'
2025-08-31T09:30:59,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz'
2025-08-31T09:30:59,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz'
2025-08-31T09:30:59,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz'
2025-08-31T09:30:59,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz'
2025-08-31T09:30:59,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz'
2025-08-31T09:30:59,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz'
2025-08-31T09:30:59,112   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz'
2025-08-31T09:30:59,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz'
2025-08-31T09:30:59,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz'
2025-08-31T09:30:59,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz'
2025-08-31T09:30:59,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz'
2025-08-31T09:30:59,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz'
2025-08-31T09:30:59,123   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz'
2025-08-31T09:30:59,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz'
2025-08-31T09:30:59,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz'
2025-08-31T09:30:59,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz'
2025-08-31T09:30:59,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz'
2025-08-31T09:30:59,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz'
2025-08-31T09:30:59,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz'
2025-08-31T09:30:59,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz'
2025-08-31T09:30:59,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz'
2025-08-31T09:30:59,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz'
2025-08-31T09:30:59,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz'
2025-08-31T09:30:59,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz'
2025-08-31T09:30:59,146   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz'
2025-08-31T09:30:59,148   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz'
2025-08-31T09:30:59,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz'
2025-08-31T09:30:59,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz'
2025-08-31T09:30:59,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz'
2025-08-31T09:30:59,155   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz'
2025-08-31T09:30:59,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz'
2025-08-31T09:30:59,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz'
2025-08-31T09:30:59,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz'
2025-08-31T09:30:59,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz'
2025-08-31T09:30:59,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz'
2025-08-31T09:30:59,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz'
2025-08-31T09:30:59,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz'
2025-08-31T09:30:59,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz'
2025-08-31T09:30:59,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz'
2025-08-31T09:30:59,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz'
2025-08-31T09:30:59,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz'
2025-08-31T09:30:59,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz'
2025-08-31T09:30:59,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz'
2025-08-31T09:30:59,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz'
2025-08-31T09:30:59,408   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz'
2025-08-31T09:30:59,410   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz'
2025-08-31T09:30:59,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz'
2025-08-31T09:30:59,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz'
2025-08-31T09:30:59,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz'
2025-08-31T09:30:59,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz'
2025-08-31T09:30:59,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz'
2025-08-31T09:30:59,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz'
2025-08-31T09:30:59,423   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz'
2025-08-31T09:30:59,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz'
2025-08-31T09:30:59,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz'
2025-08-31T09:30:59,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz'
2025-08-31T09:30:59,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz'
2025-08-31T09:30:59,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz'
2025-08-31T09:30:59,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz'
2025-08-31T09:30:59,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz'
2025-08-31T09:30:59,437   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz'
2025-08-31T09:30:59,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz'
2025-08-31T09:30:59,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz'
2025-08-31T09:30:59,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz'
2025-08-31T09:30:59,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz'
2025-08-31T09:30:59,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz'
2025-08-31T09:30:59,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz'
2025-08-31T09:30:59,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz'
2025-08-31T09:30:59,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz'
2025-08-31T09:30:59,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz'
2025-08-31T09:30:59,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz'
2025-08-31T09:30:59,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz'
2025-08-31T09:30:59,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz'
2025-08-31T09:30:59,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz'
2025-08-31T09:30:59,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz'
2025-08-31T09:30:59,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz'
2025-08-31T09:30:59,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add/struc.xyz'
2025-08-31T09:30:59,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add/struc.xyz'
2025-08-31T09:30:59,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz'
2025-08-31T09:30:59,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz'
2025-08-31T09:30:59,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz'
2025-08-31T09:30:59,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz'
2025-08-31T09:30:59,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz'
2025-08-31T09:30:59,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz'
2025-08-31T09:30:59,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz'
2025-08-31T09:30:59,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz'
2025-08-31T09:30:59,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz'
2025-08-31T09:30:59,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz'
2025-08-31T09:30:59,488   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz'
2025-08-31T09:30:59,490   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz'
2025-08-31T09:30:59,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz'
2025-08-31T09:30:59,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz'
2025-08-31T09:30:59,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz'
2025-08-31T09:30:59,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz'
2025-08-31T09:30:59,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz'
2025-08-31T09:30:59,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz'
2025-08-31T09:30:59,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz'
2025-08-31T09:30:59,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz'
2025-08-31T09:30:59,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz'
2025-08-31T09:30:59,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz'
2025-08-31T09:30:59,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz'
2025-08-31T09:30:59,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz'
2025-08-31T09:30:59,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz'
2025-08-31T09:30:59,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz'
2025-08-31T09:30:59,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz'
2025-08-31T09:30:59,519   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz'
2025-08-31T09:30:59,521   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz'
2025-08-31T09:30:59,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz'
2025-08-31T09:30:59,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz'
2025-08-31T09:30:59,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz'
2025-08-31T09:30:59,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz'
2025-08-31T09:30:59,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz'
2025-08-31T09:30:59,532   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz'
2025-08-31T09:30:59,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz'
2025-08-31T09:30:59,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz'
2025-08-31T09:30:59,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz'
2025-08-31T09:30:59,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz'
2025-08-31T09:30:59,542   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz'
2025-08-31T09:30:59,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz'
2025-08-31T09:30:59,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz'
2025-08-31T09:30:59,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz'
2025-08-31T09:30:59,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz'
2025-08-31T09:30:59,551   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz'
2025-08-31T09:30:59,553   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz'
2025-08-31T09:30:59,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz'
2025-08-31T09:30:59,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz'
2025-08-31T09:30:59,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz'
2025-08-31T09:30:59,560   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz'
2025-08-31T09:30:59,562   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz'
2025-08-31T09:30:59,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz'
2025-08-31T09:30:59,565   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz'
2025-08-31T09:30:59,567   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz'
2025-08-31T09:30:59,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz'
2025-08-31T09:30:59,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz'
2025-08-31T09:30:59,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz'
2025-08-31T09:30:59,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz'
2025-08-31T09:30:59,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz'
2025-08-31T09:30:59,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz'
2025-08-31T09:30:59,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz'
2025-08-31T09:30:59,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz'
2025-08-31T09:30:59,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz'
2025-08-31T09:30:59,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz'
2025-08-31T09:30:59,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz'
2025-08-31T09:30:59,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz'
2025-08-31T09:30:59,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz'
2025-08-31T09:30:59,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz'
2025-08-31T09:30:59,594   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz'
2025-08-31T09:30:59,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz'
2025-08-31T09:30:59,597   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz'
2025-08-31T09:30:59,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz'
2025-08-31T09:30:59,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz'
2025-08-31T09:30:59,603   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2/struc.xyz'
2025-08-31T09:30:59,605   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2/struc.xyz'
2025-08-31T09:30:59,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz'
2025-08-31T09:30:59,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz'
2025-08-31T09:30:59,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene/struc.xyz'
2025-08-31T09:30:59,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz'
2025-08-31T09:30:59,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz'
2025-08-31T09:30:59,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz'
2025-08-31T09:30:59,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz'
2025-08-31T09:30:59,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz'
2025-08-31T09:30:59,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz'
2025-08-31T09:30:59,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz'
2025-08-31T09:30:59,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz'
2025-08-31T09:30:59,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz'
2025-08-31T09:30:59,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz'
2025-08-31T09:30:59,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz'
2025-08-31T09:30:59,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz'
2025-08-31T09:30:59,634   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz'
2025-08-31T09:30:59,636   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz'
2025-08-31T09:30:59,638   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz'
2025-08-31T09:30:59,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz'
2025-08-31T09:30:59,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz'
2025-08-31T09:30:59,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz'
2025-08-31T09:30:59,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz'
2025-08-31T09:30:59,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz'
2025-08-31T09:30:59,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz'
2025-08-31T09:30:59,650   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz'
2025-08-31T09:30:59,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz'
2025-08-31T09:30:59,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz'
2025-08-31T09:30:59,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz'
2025-08-31T09:30:59,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz'
2025-08-31T09:30:59,659   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz'
2025-08-31T09:30:59,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz'
2025-08-31T09:30:59,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz'
2025-08-31T09:30:59,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz'
2025-08-31T09:30:59,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz'
2025-08-31T09:30:59,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz'
2025-08-31T09:30:59,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene/struc.xyz'
2025-08-31T09:30:59,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz'
2025-08-31T09:30:59,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz'
2025-08-31T09:30:59,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz'
2025-08-31T09:30:59,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz'
2025-08-31T09:30:59,680   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz'
2025-08-31T09:30:59,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz'
2025-08-31T09:30:59,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz'
2025-08-31T09:30:59,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz'
2025-08-31T09:30:59,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz'
2025-08-31T09:30:59,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz'
2025-08-31T09:30:59,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz'
2025-08-31T09:30:59,693   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz'
2025-08-31T09:30:59,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz'
2025-08-31T09:30:59,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz'
2025-08-31T09:30:59,698   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz'
2025-08-31T09:30:59,700   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz'
2025-08-31T09:30:59,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz'
2025-08-31T09:30:59,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz'
2025-08-31T09:30:59,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz'
2025-08-31T09:30:59,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz'
2025-08-31T09:30:59,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz'
2025-08-31T09:30:59,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz'
2025-08-31T09:30:59,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz'
2025-08-31T09:30:59,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz'
2025-08-31T09:30:59,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz'
2025-08-31T09:30:59,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz'
2025-08-31T09:30:59,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz'
2025-08-31T09:30:59,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz'
2025-08-31T09:30:59,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz'
2025-08-31T09:30:59,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz'
2025-08-31T09:30:59,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz'
2025-08-31T09:30:59,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz'
2025-08-31T09:30:59,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz'
2025-08-31T09:30:59,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz'
2025-08-31T09:30:59,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz'
2025-08-31T09:30:59,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz'
2025-08-31T09:30:59,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz'
2025-08-31T09:30:59,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz'
2025-08-31T09:30:59,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz'
2025-08-31T09:30:59,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz'
2025-08-31T09:30:59,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz'
2025-08-31T09:30:59,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz'
2025-08-31T09:30:59,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz'
2025-08-31T09:30:59,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz'
2025-08-31T09:30:59,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz'
2025-08-31T09:30:59,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz'
2025-08-31T09:30:59,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz'
2025-08-31T09:30:59,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz'
2025-08-31T09:30:59,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz'
2025-08-31T09:30:59,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz'
2025-08-31T09:30:59,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz'
2025-08-31T09:30:59,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz'
2025-08-31T09:30:59,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz'
2025-08-31T09:30:59,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz'
2025-08-31T09:30:59,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz'
2025-08-31T09:30:59,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz'
2025-08-31T09:30:59,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz'
2025-08-31T09:30:59,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz'
2025-08-31T09:30:59,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz'
2025-08-31T09:30:59,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz'
2025-08-31T09:30:59,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz'
2025-08-31T09:30:59,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz'
2025-08-31T09:30:59,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz'
2025-08-31T09:30:59,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz'
2025-08-31T09:30:59,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz'
2025-08-31T09:30:59,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz'
2025-08-31T09:30:59,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz'
2025-08-31T09:30:59,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz'
2025-08-31T09:30:59,794   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz'
2025-08-31T09:30:59,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz'
2025-08-31T09:30:59,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz'
2025-08-31T09:30:59,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz'
2025-08-31T09:30:59,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz'
2025-08-31T09:30:59,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz'
2025-08-31T09:30:59,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz'
2025-08-31T09:30:59,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz'
2025-08-31T09:30:59,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz'
2025-08-31T09:30:59,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz'
2025-08-31T09:30:59,812   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz'
2025-08-31T09:30:59,814   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz'
2025-08-31T09:30:59,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz'
2025-08-31T09:30:59,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz'
2025-08-31T09:30:59,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz'
2025-08-31T09:30:59,821   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz'
2025-08-31T09:30:59,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz'
2025-08-31T09:30:59,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz'
2025-08-31T09:30:59,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz'
2025-08-31T09:30:59,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz'
2025-08-31T09:30:59,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz'
2025-08-31T09:30:59,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz'
2025-08-31T09:30:59,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz'
2025-08-31T09:30:59,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz'
2025-08-31T09:30:59,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz'
2025-08-31T09:30:59,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz'
2025-08-31T09:30:59,840   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz'
2025-08-31T09:30:59,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz'
2025-08-31T09:30:59,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz'
2025-08-31T09:30:59,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz'
2025-08-31T09:30:59,847   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz'
2025-08-31T09:30:59,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz'
2025-08-31T09:30:59,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz'
2025-08-31T09:30:59,852   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz'
2025-08-31T09:30:59,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz'
2025-08-31T09:30:59,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz'
2025-08-31T09:30:59,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz'
2025-08-31T09:30:59,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz'
2025-08-31T09:30:59,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz'
2025-08-31T09:30:59,861   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz'
2025-08-31T09:30:59,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz'
2025-08-31T09:30:59,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz'
2025-08-31T09:30:59,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz'
2025-08-31T09:30:59,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz'
2025-08-31T09:30:59,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz'
2025-08-31T09:30:59,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz'
2025-08-31T09:30:59,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz'
2025-08-31T09:30:59,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz'
2025-08-31T09:30:59,876   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz'
2025-08-31T09:30:59,878   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz'
2025-08-31T09:30:59,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz'
2025-08-31T09:30:59,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz'
2025-08-31T09:30:59,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz'
2025-08-31T09:30:59,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz'
2025-08-31T09:30:59,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz'
2025-08-31T09:30:59,890   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz'
2025-08-31T09:30:59,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz'
2025-08-31T09:30:59,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz'
2025-08-31T09:30:59,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz'
2025-08-31T09:30:59,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz'
2025-08-31T09:30:59,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz'
2025-08-31T09:30:59,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz'
2025-08-31T09:30:59,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz'
2025-08-31T09:30:59,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz'
2025-08-31T09:30:59,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz'
2025-08-31T09:30:59,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz'
2025-08-31T09:30:59,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz'
2025-08-31T09:30:59,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz'
2025-08-31T09:30:59,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz'
2025-08-31T09:30:59,914   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz'
2025-08-31T09:30:59,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz'
2025-08-31T09:30:59,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz'
2025-08-31T09:30:59,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz'
2025-08-31T09:30:59,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz'
2025-08-31T09:30:59,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz'
2025-08-31T09:30:59,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz'
2025-08-31T09:30:59,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz'
2025-08-31T09:30:59,928   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz'
2025-08-31T09:30:59,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz'
2025-08-31T09:30:59,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz'
2025-08-31T09:30:59,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz'
2025-08-31T09:30:59,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz'
2025-08-31T09:30:59,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz'
2025-08-31T09:30:59,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz'
2025-08-31T09:30:59,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz'
2025-08-31T09:30:59,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz'
2025-08-31T09:30:59,943   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz'
2025-08-31T09:30:59,945   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz'
2025-08-31T09:30:59,947   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz'
2025-08-31T09:30:59,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz'
2025-08-31T09:30:59,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz'
2025-08-31T09:30:59,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz'
2025-08-31T09:30:59,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz'
2025-08-31T09:30:59,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz'
2025-08-31T09:30:59,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz'
2025-08-31T09:30:59,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz'
2025-08-31T09:30:59,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz'
2025-08-31T09:30:59,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz'
2025-08-31T09:30:59,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz'
2025-08-31T09:30:59,967   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz'
2025-08-31T09:30:59,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA/struc.xyz'
2025-08-31T09:30:59,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz'
2025-08-31T09:30:59,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB/struc.xyz'
2025-08-31T09:30:59,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA/struc.xyz'
2025-08-31T09:30:59,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz'
2025-08-31T09:30:59,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB/struc.xyz'
2025-08-31T09:30:59,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz'
2025-08-31T09:30:59,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz'
2025-08-31T09:30:59,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz'
2025-08-31T09:30:59,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz'
2025-08-31T09:30:59,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz'
2025-08-31T09:30:59,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz'
2025-08-31T09:30:59,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz'
2025-08-31T09:30:59,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz'
2025-08-31T09:30:59,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz'
2025-08-31T09:30:59,998   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz'
2025-08-31T09:31:00,000   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz'
2025-08-31T09:31:00,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz'
2025-08-31T09:31:00,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz'
2025-08-31T09:31:00,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz'
2025-08-31T09:31:00,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz'
2025-08-31T09:31:00,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz'
2025-08-31T09:31:00,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz'
2025-08-31T09:31:00,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz'
2025-08-31T09:31:00,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz'
2025-08-31T09:31:00,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz'
2025-08-31T09:31:00,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz'
2025-08-31T09:31:00,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz'
2025-08-31T09:31:00,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz'
2025-08-31T09:31:00,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz'
2025-08-31T09:31:00,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz'
2025-08-31T09:31:00,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz'
2025-08-31T09:31:00,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz'
2025-08-31T09:31:00,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz'
2025-08-31T09:31:00,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz'
2025-08-31T09:31:00,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz'
2025-08-31T09:31:00,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz'
2025-08-31T09:31:00,037   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz'
2025-08-31T09:31:00,039   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz'
2025-08-31T09:31:00,041   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz'
2025-08-31T09:31:00,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz'
2025-08-31T09:31:00,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz'
2025-08-31T09:31:00,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz'
2025-08-31T09:31:00,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz'
2025-08-31T09:31:00,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz'
2025-08-31T09:31:00,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz'
2025-08-31T09:31:00,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz'
2025-08-31T09:31:00,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz'
2025-08-31T09:31:00,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz'
2025-08-31T09:31:00,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz'
2025-08-31T09:31:00,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz'
2025-08-31T09:31:00,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz'
2025-08-31T09:31:00,062   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz'
2025-08-31T09:31:00,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz'
2025-08-31T09:31:00,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz'
2025-08-31T09:31:00,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz'
2025-08-31T09:31:00,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz'
2025-08-31T09:31:00,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz'
2025-08-31T09:31:00,072   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz'
2025-08-31T09:31:00,073   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz'
2025-08-31T09:31:00,075   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz'
2025-08-31T09:31:00,077   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz'
2025-08-31T09:31:00,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz'
2025-08-31T09:31:00,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz'
2025-08-31T09:31:00,082   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz'
2025-08-31T09:31:00,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz'
2025-08-31T09:31:00,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz'
2025-08-31T09:31:00,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz'
2025-08-31T09:31:00,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz'
2025-08-31T09:31:00,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz'
2025-08-31T09:31:00,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz'
2025-08-31T09:31:00,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz'
2025-08-31T09:31:00,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz'
2025-08-31T09:31:00,097   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz'
2025-08-31T09:31:00,099   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz'
2025-08-31T09:31:00,101   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz'
2025-08-31T09:31:00,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz'
2025-08-31T09:31:00,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz'
2025-08-31T09:31:00,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz'
2025-08-31T09:31:00,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz'
2025-08-31T09:31:00,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz'
2025-08-31T09:31:00,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz'
2025-08-31T09:31:00,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz'
2025-08-31T09:31:00,116   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz'
2025-08-31T09:31:00,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz'
2025-08-31T09:31:00,120   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz'
2025-08-31T09:31:00,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz'
2025-08-31T09:31:00,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz'
2025-08-31T09:31:00,125   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz'
2025-08-31T09:31:00,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz'
2025-08-31T09:31:00,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz'
2025-08-31T09:31:00,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz'
2025-08-31T09:31:00,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz'
2025-08-31T09:31:00,135   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz'
2025-08-31T09:31:00,137   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz'
2025-08-31T09:31:00,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz'
2025-08-31T09:31:00,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz'
2025-08-31T09:31:00,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz'
2025-08-31T09:31:00,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz'
2025-08-31T09:31:00,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz'
2025-08-31T09:31:00,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz'
2025-08-31T09:31:00,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz'
2025-08-31T09:31:00,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz'
2025-08-31T09:31:00,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz'
2025-08-31T09:31:00,173   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz'
2025-08-31T09:31:00,185   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz'
2025-08-31T09:31:00,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz'
2025-08-31T09:31:00,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz'
2025-08-31T09:31:00,194   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz'
2025-08-31T09:31:00,196   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz'
2025-08-31T09:31:00,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz'
2025-08-31T09:31:00,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz'
2025-08-31T09:31:00,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz'
2025-08-31T09:31:00,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz'
2025-08-31T09:31:00,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz'
2025-08-31T09:31:00,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz'
2025-08-31T09:31:00,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz'
2025-08-31T09:31:00,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz'
2025-08-31T09:31:00,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz'
2025-08-31T09:31:00,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz'
2025-08-31T09:31:00,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz'
2025-08-31T09:31:00,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz'
2025-08-31T09:31:00,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz'
2025-08-31T09:31:00,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz'
2025-08-31T09:31:00,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz'
2025-08-31T09:31:00,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz'
2025-08-31T09:31:00,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz'
2025-08-31T09:31:00,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz'
2025-08-31T09:31:00,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz'
2025-08-31T09:31:00,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz'
2025-08-31T09:31:00,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz'
2025-08-31T09:31:00,243   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz'
2025-08-31T09:31:00,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz'
2025-08-31T09:31:00,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz'
2025-08-31T09:31:00,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz'
2025-08-31T09:31:00,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz'
2025-08-31T09:31:00,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz'
2025-08-31T09:31:00,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz'
2025-08-31T09:31:00,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz'
2025-08-31T09:31:00,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz'
2025-08-31T09:31:00,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz'
2025-08-31T09:31:00,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz'
2025-08-31T09:31:00,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz'
2025-08-31T09:31:00,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz'
2025-08-31T09:31:00,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz'
2025-08-31T09:31:00,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz'
2025-08-31T09:31:00,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz'
2025-08-31T09:31:00,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz'
2025-08-31T09:31:00,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz'
2025-08-31T09:31:00,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz'
2025-08-31T09:31:00,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz'
2025-08-31T09:31:00,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz'
2025-08-31T09:31:00,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz'
2025-08-31T09:31:00,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz'
2025-08-31T09:31:00,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz'
2025-08-31T09:31:00,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz'
2025-08-31T09:31:00,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz'
2025-08-31T09:31:00,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz'
2025-08-31T09:31:00,320   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz'
2025-08-31T09:31:00,322   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz'
2025-08-31T09:31:00,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz'
2025-08-31T09:31:00,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz'
2025-08-31T09:31:00,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz'
2025-08-31T09:31:00,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz'
2025-08-31T09:31:00,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz'
2025-08-31T09:31:00,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz'
2025-08-31T09:31:00,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz'
2025-08-31T09:31:00,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz'
2025-08-31T09:31:00,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz'
2025-08-31T09:31:00,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz'
2025-08-31T09:31:00,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz'
2025-08-31T09:31:00,365   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz'
2025-08-31T09:31:00,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz'
2025-08-31T09:31:00,371   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz'
2025-08-31T09:31:00,375   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz'
2025-08-31T09:31:00,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz'
2025-08-31T09:31:00,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz'
2025-08-31T09:31:00,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz'
2025-08-31T09:31:00,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz'
2025-08-31T09:31:00,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz'
2025-08-31T09:31:00,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz'
2025-08-31T09:31:00,389   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz'
2025-08-31T09:31:00,391   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz'
2025-08-31T09:31:00,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz'
2025-08-31T09:31:00,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz'
2025-08-31T09:31:00,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz'
2025-08-31T09:31:00,399   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz'
2025-08-31T09:31:00,401   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz'
2025-08-31T09:31:00,403   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz'
2025-08-31T09:31:00,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz'
2025-08-31T09:31:00,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz'
2025-08-31T09:31:00,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz'
2025-08-31T09:31:00,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz'
2025-08-31T09:31:00,413   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz'
2025-08-31T09:31:00,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz'
2025-08-31T09:31:00,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz'
2025-08-31T09:31:00,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz'
2025-08-31T09:31:00,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz'
2025-08-31T09:31:00,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz'
2025-08-31T09:31:00,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz'
2025-08-31T09:31:00,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz'
2025-08-31T09:31:00,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz'
2025-08-31T09:31:00,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz'
2025-08-31T09:31:00,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz'
2025-08-31T09:31:00,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz'
2025-08-31T09:31:00,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz'
2025-08-31T09:31:00,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz'
2025-08-31T09:31:00,439   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz'
2025-08-31T09:31:00,441   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz'
2025-08-31T09:31:00,443   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz'
2025-08-31T09:31:00,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz'
2025-08-31T09:31:00,446   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz'
2025-08-31T09:31:00,448   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz'
2025-08-31T09:31:00,450   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz'
2025-08-31T09:31:00,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz'
2025-08-31T09:31:00,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz'
2025-08-31T09:31:00,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz'
2025-08-31T09:31:00,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz'
2025-08-31T09:31:00,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz'
2025-08-31T09:31:00,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz'
2025-08-31T09:31:00,463   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz'
2025-08-31T09:31:00,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz'
2025-08-31T09:31:00,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz'
2025-08-31T09:31:00,468   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz'
2025-08-31T09:31:00,470   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz'
2025-08-31T09:31:00,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz'
2025-08-31T09:31:00,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz'
2025-08-31T09:31:00,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz'
2025-08-31T09:31:00,478   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz'
2025-08-31T09:31:00,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz'
2025-08-31T09:31:00,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz'
2025-08-31T09:31:00,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz'
2025-08-31T09:31:00,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz'
2025-08-31T09:31:00,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz'
2025-08-31T09:31:00,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz'
2025-08-31T09:31:00,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz'
2025-08-31T09:31:00,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz'
2025-08-31T09:31:00,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz'
2025-08-31T09:31:00,497   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz'
2025-08-31T09:31:00,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz'
2025-08-31T09:31:00,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz'
2025-08-31T09:31:00,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz'
2025-08-31T09:31:00,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz'
2025-08-31T09:31:00,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz'
2025-08-31T09:31:00,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz'
2025-08-31T09:31:00,511   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz'
2025-08-31T09:31:00,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz'
2025-08-31T09:31:00,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz'
2025-08-31T09:31:00,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz'
2025-08-31T09:31:00,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz'
2025-08-31T09:31:00,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz'
2025-08-31T09:31:00,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz'
2025-08-31T09:31:00,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz'
2025-08-31T09:31:00,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz'
2025-08-31T09:31:00,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz'
2025-08-31T09:31:00,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz'
2025-08-31T09:31:00,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz'
2025-08-31T09:31:00,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz'
2025-08-31T09:31:00,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz'
2025-08-31T09:31:00,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz'
2025-08-31T09:31:00,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz'
2025-08-31T09:31:00,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz'
2025-08-31T09:31:00,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz'
2025-08-31T09:31:00,579   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz'
2025-08-31T09:31:00,584   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz'
2025-08-31T09:31:00,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz'
2025-08-31T09:31:00,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz'
2025-08-31T09:31:00,602   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz'
2025-08-31T09:31:00,608   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz'
2025-08-31T09:31:00,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz'
2025-08-31T09:31:00,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz'
2025-08-31T09:31:00,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz'
2025-08-31T09:31:00,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz'
2025-08-31T09:31:00,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz'
2025-08-31T09:31:00,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz'
2025-08-31T09:31:00,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz'
2025-08-31T09:31:00,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz'
2025-08-31T09:31:00,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz'
2025-08-31T09:31:00,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz'
2025-08-31T09:31:00,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz'
2025-08-31T09:31:00,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz'
2025-08-31T09:31:00,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz'
2025-08-31T09:31:00,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz'
2025-08-31T09:31:00,652   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz'
2025-08-31T09:31:00,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz'
2025-08-31T09:31:00,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz'
2025-08-31T09:31:00,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz'
2025-08-31T09:31:00,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz'
2025-08-31T09:31:00,661   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz'
2025-08-31T09:31:00,663   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz'
2025-08-31T09:31:00,665   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz'
2025-08-31T09:31:00,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz'
2025-08-31T09:31:00,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz'
2025-08-31T09:31:00,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz'
2025-08-31T09:31:00,673   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz'
2025-08-31T09:31:00,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz'
2025-08-31T09:31:00,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz'
2025-08-31T09:31:00,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz'
2025-08-31T09:31:00,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz'
2025-08-31T09:31:00,683   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz'
2025-08-31T09:31:00,685   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz'
2025-08-31T09:31:00,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz'
2025-08-31T09:31:00,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz'
2025-08-31T09:31:00,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz'
2025-08-31T09:31:00,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz'
2025-08-31T09:31:00,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz'
2025-08-31T09:31:00,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz'
2025-08-31T09:31:00,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz'
2025-08-31T09:31:00,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz'
2025-08-31T09:31:00,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz'
2025-08-31T09:31:00,705   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz'
2025-08-31T09:31:00,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz'
2025-08-31T09:31:00,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz'
2025-08-31T09:31:00,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz'
2025-08-31T09:31:00,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz'
2025-08-31T09:31:00,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz'
2025-08-31T09:31:00,715   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz'
2025-08-31T09:31:00,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz'
2025-08-31T09:31:00,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz'
2025-08-31T09:31:00,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz'
2025-08-31T09:31:00,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz'
2025-08-31T09:31:00,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz'
2025-08-31T09:31:00,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz'
2025-08-31T09:31:00,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz'
2025-08-31T09:31:00,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz'
2025-08-31T09:31:00,731   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz'
2025-08-31T09:31:00,733   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz'
2025-08-31T09:31:00,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz'
2025-08-31T09:31:00,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz'
2025-08-31T09:31:00,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz'
2025-08-31T09:31:00,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz'
2025-08-31T09:31:00,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz'
2025-08-31T09:31:00,743   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz'
2025-08-31T09:31:00,745   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz'
2025-08-31T09:31:00,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz'
2025-08-31T09:31:00,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz'
2025-08-31T09:31:00,750   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz'
2025-08-31T09:31:00,752   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz'
2025-08-31T09:31:00,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz'
2025-08-31T09:31:00,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz'
2025-08-31T09:31:00,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz'
2025-08-31T09:31:00,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz'
2025-08-31T09:31:00,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz'
2025-08-31T09:31:00,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz'
2025-08-31T09:31:00,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz'
2025-08-31T09:31:00,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz'
2025-08-31T09:31:00,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz'
2025-08-31T09:31:00,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz'
2025-08-31T09:31:00,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz'
2025-08-31T09:31:00,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz'
2025-08-31T09:31:00,776   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz'
2025-08-31T09:31:00,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz'
2025-08-31T09:31:00,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz'
2025-08-31T09:31:00,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz'
2025-08-31T09:31:00,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz'
2025-08-31T09:31:00,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz'
2025-08-31T09:31:00,789   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz'
2025-08-31T09:31:00,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz'
2025-08-31T09:31:00,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz'
2025-08-31T09:31:00,796   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz'
2025-08-31T09:31:00,798   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz'
2025-08-31T09:31:00,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz'
2025-08-31T09:31:00,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz'
2025-08-31T09:31:00,805   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz'
2025-08-31T09:31:00,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz'
2025-08-31T09:31:00,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz'
2025-08-31T09:31:00,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz'
2025-08-31T09:31:00,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz'
2025-08-31T09:31:00,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz'
2025-08-31T09:31:00,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz'
2025-08-31T09:31:00,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz'
2025-08-31T09:31:00,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz'
2025-08-31T09:31:00,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz'
2025-08-31T09:31:00,829   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz'
2025-08-31T09:31:00,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz'
2025-08-31T09:31:00,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz'
2025-08-31T09:31:00,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz'
2025-08-31T09:31:00,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz'
2025-08-31T09:31:00,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz'
2025-08-31T09:31:00,843   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz'
2025-08-31T09:31:00,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz'
2025-08-31T09:31:00,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz'
2025-08-31T09:31:00,850   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz'
2025-08-31T09:31:00,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz'
2025-08-31T09:31:00,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz'
2025-08-31T09:31:00,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz'
2025-08-31T09:31:00,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz'
2025-08-31T09:31:00,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz'
2025-08-31T09:31:00,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz'
2025-08-31T09:31:00,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz'
2025-08-31T09:31:00,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz'
2025-08-31T09:31:00,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz'
2025-08-31T09:31:00,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz'
2025-08-31T09:31:00,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz'
2025-08-31T09:31:00,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz'
2025-08-31T09:31:00,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz'
2025-08-31T09:31:00,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz'
2025-08-31T09:31:00,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz'
2025-08-31T09:31:00,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz'
2025-08-31T09:31:00,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz'
2025-08-31T09:31:00,889   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz'
2025-08-31T09:31:00,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz'
2025-08-31T09:31:00,893   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz'
2025-08-31T09:31:00,895   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz'
2025-08-31T09:31:00,897   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz'
2025-08-31T09:31:00,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz'
2025-08-31T09:31:00,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz'
2025-08-31T09:31:00,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz'
2025-08-31T09:31:00,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz'
2025-08-31T09:31:00,907   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz'
2025-08-31T09:31:00,909   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz'
2025-08-31T09:31:00,911   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz'
2025-08-31T09:31:00,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz'
2025-08-31T09:31:00,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz'
2025-08-31T09:31:00,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz'
2025-08-31T09:31:00,921   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz'
2025-08-31T09:31:00,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz'
2025-08-31T09:31:00,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz'
2025-08-31T09:31:00,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz'
2025-08-31T09:31:00,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz'
2025-08-31T09:31:00,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz'
2025-08-31T09:31:00,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz'
2025-08-31T09:31:00,936   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz'
2025-08-31T09:31:00,938   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz'
2025-08-31T09:31:00,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz'
2025-08-31T09:31:00,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz'
2025-08-31T09:31:00,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz'
2025-08-31T09:31:00,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz'
2025-08-31T09:31:00,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz'
2025-08-31T09:31:00,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz'
2025-08-31T09:31:00,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz'
2025-08-31T09:31:00,954   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz'
2025-08-31T09:31:00,956   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz'
2025-08-31T09:31:00,958   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz'
2025-08-31T09:31:00,960   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz'
2025-08-31T09:31:00,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz'
2025-08-31T09:31:00,963   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz'
2025-08-31T09:31:00,965   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz'
2025-08-31T09:31:00,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz'
2025-08-31T09:31:00,974   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz'
2025-08-31T09:31:00,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz'
2025-08-31T09:31:00,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz'
2025-08-31T09:31:00,981   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz'
2025-08-31T09:31:00,983   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz'
2025-08-31T09:31:00,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz'
2025-08-31T09:31:00,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz'
2025-08-31T09:31:00,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz'
2025-08-31T09:31:00,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz'
2025-08-31T09:31:00,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz'
2025-08-31T09:31:00,996   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz'
2025-08-31T09:31:00,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz'
2025-08-31T09:31:01,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz'
2025-08-31T09:31:01,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz'
2025-08-31T09:31:01,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz'
2025-08-31T09:31:01,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz'
2025-08-31T09:31:01,015   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz'
2025-08-31T09:31:01,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz'
2025-08-31T09:31:01,022   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz'
2025-08-31T09:31:01,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz'
2025-08-31T09:31:01,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz'
2025-08-31T09:31:01,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz'
2025-08-31T09:31:01,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz'
2025-08-31T09:31:01,050   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz'
2025-08-31T09:31:01,057   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz'
2025-08-31T09:31:01,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz'
2025-08-31T09:31:01,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz'
2025-08-31T09:31:01,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz'
2025-08-31T09:31:01,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz'
2025-08-31T09:31:01,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz'
2025-08-31T09:31:01,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz'
2025-08-31T09:31:01,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz'
2025-08-31T09:31:01,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz'
2025-08-31T09:31:01,079   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz'
2025-08-31T09:31:01,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz'
2025-08-31T09:31:01,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz'
2025-08-31T09:31:01,084   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz'
2025-08-31T09:31:01,086   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz'
2025-08-31T09:31:01,088   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz'
2025-08-31T09:31:01,090   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz'
2025-08-31T09:31:01,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz'
2025-08-31T09:31:01,093   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz'
2025-08-31T09:31:01,095   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz'
2025-08-31T09:31:01,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz'
2025-08-31T09:31:01,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz'
2025-08-31T09:31:01,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz'
2025-08-31T09:31:01,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz'
2025-08-31T09:31:01,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz'
2025-08-31T09:31:01,105   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz'
2025-08-31T09:31:01,107   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz'
2025-08-31T09:31:01,109   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz'
2025-08-31T09:31:01,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz'
2025-08-31T09:31:01,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz'
2025-08-31T09:31:01,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz'
2025-08-31T09:31:01,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz'
2025-08-31T09:31:01,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz'
2025-08-31T09:31:01,121   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz'
2025-08-31T09:31:01,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz'
2025-08-31T09:31:01,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz'
2025-08-31T09:31:01,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz'
2025-08-31T09:31:01,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz'
2025-08-31T09:31:01,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz'
2025-08-31T09:31:01,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz'
2025-08-31T09:31:01,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz'
2025-08-31T09:31:01,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz'
2025-08-31T09:31:01,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz'
2025-08-31T09:31:01,139   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz'
2025-08-31T09:31:01,141   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz'
2025-08-31T09:31:01,143   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz'
2025-08-31T09:31:01,145   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz'
2025-08-31T09:31:01,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz'
2025-08-31T09:31:01,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz'
2025-08-31T09:31:01,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz'
2025-08-31T09:31:01,152   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz'
2025-08-31T09:31:01,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz'
2025-08-31T09:31:01,156   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz'
2025-08-31T09:31:01,158   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz'
2025-08-31T09:31:01,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz'
2025-08-31T09:31:01,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz'
2025-08-31T09:31:01,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz'
2025-08-31T09:31:01,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz'
2025-08-31T09:31:01,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz'
2025-08-31T09:31:01,168   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz'
2025-08-31T09:31:01,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz'
2025-08-31T09:31:01,172   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz'
2025-08-31T09:31:01,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz'
2025-08-31T09:31:01,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz'
2025-08-31T09:31:01,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz'
2025-08-31T09:31:01,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz'
2025-08-31T09:31:01,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz'
2025-08-31T09:31:01,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz'
2025-08-31T09:31:01,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz'
2025-08-31T09:31:01,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz'
2025-08-31T09:31:01,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz'
2025-08-31T09:31:01,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz'
2025-08-31T09:31:01,191   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz'
2025-08-31T09:31:01,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz'
2025-08-31T09:31:01,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz'
2025-08-31T09:31:01,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz'
2025-08-31T09:31:01,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz'
2025-08-31T09:31:01,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz'
2025-08-31T09:31:01,203   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz'
2025-08-31T09:31:01,205   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz'
2025-08-31T09:31:01,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz'
2025-08-31T09:31:01,210   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz'
2025-08-31T09:31:01,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz'
2025-08-31T09:31:01,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz'
2025-08-31T09:31:01,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz'
2025-08-31T09:31:01,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz'
2025-08-31T09:31:01,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz'
2025-08-31T09:31:01,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz'
2025-08-31T09:31:01,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz'
2025-08-31T09:31:01,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz'
2025-08-31T09:31:01,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz'
2025-08-31T09:31:01,229   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz'
2025-08-31T09:31:01,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz'
2025-08-31T09:31:01,232   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz'
2025-08-31T09:31:01,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz'
2025-08-31T09:31:01,236   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz'
2025-08-31T09:31:01,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz'
2025-08-31T09:31:01,239   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz'
2025-08-31T09:31:01,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz'
2025-08-31T09:31:01,243   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz'
2025-08-31T09:31:01,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz'
2025-08-31T09:31:01,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz'
2025-08-31T09:31:01,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz'
2025-08-31T09:31:01,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz'
2025-08-31T09:31:01,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz'
2025-08-31T09:31:01,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz'
2025-08-31T09:31:01,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz'
2025-08-31T09:31:01,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz'
2025-08-31T09:31:01,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz'
2025-08-31T09:31:01,259   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz'
2025-08-31T09:31:01,261   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz'
2025-08-31T09:31:01,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz'
2025-08-31T09:31:01,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz'
2025-08-31T09:31:01,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz'
2025-08-31T09:31:01,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz'
2025-08-31T09:31:01,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz'
2025-08-31T09:31:01,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz'
2025-08-31T09:31:01,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz'
2025-08-31T09:31:01,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz'
2025-08-31T09:31:01,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz'
2025-08-31T09:31:01,279   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz'
2025-08-31T09:31:01,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz'
2025-08-31T09:31:01,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz'
2025-08-31T09:31:01,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz'
2025-08-31T09:31:01,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz'
2025-08-31T09:31:01,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz'
2025-08-31T09:31:01,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz'
2025-08-31T09:31:01,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz'
2025-08-31T09:31:01,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz'
2025-08-31T09:31:01,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz'
2025-08-31T09:31:01,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz'
2025-08-31T09:31:01,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz'
2025-08-31T09:31:01,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz'
2025-08-31T09:31:01,306   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz'
2025-08-31T09:31:01,308   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz'
2025-08-31T09:31:01,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz'
2025-08-31T09:31:01,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz'
2025-08-31T09:31:01,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz'
2025-08-31T09:31:01,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz'
2025-08-31T09:31:01,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz'
2025-08-31T09:31:01,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz'
2025-08-31T09:31:01,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz'
2025-08-31T09:31:01,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz'
2025-08-31T09:31:01,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz'
2025-08-31T09:31:01,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz'
2025-08-31T09:31:01,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz'
2025-08-31T09:31:01,331   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz'
2025-08-31T09:31:01,333   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz'
2025-08-31T09:31:01,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz'
2025-08-31T09:31:01,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz'
2025-08-31T09:31:01,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz'
2025-08-31T09:31:01,340   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz'
2025-08-31T09:31:01,342   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz'
2025-08-31T09:31:01,344   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz'
2025-08-31T09:31:01,346   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz'
2025-08-31T09:31:01,348   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz'
2025-08-31T09:31:01,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz'
2025-08-31T09:31:01,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz'
2025-08-31T09:31:01,353   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz'
2025-08-31T09:31:01,355   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz'
2025-08-31T09:31:01,357   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz'
2025-08-31T09:31:01,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz'
2025-08-31T09:31:01,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz'
2025-08-31T09:31:01,363   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz'
2025-08-31T09:31:01,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz'
2025-08-31T09:31:01,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz'
2025-08-31T09:31:01,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz'
2025-08-31T09:31:01,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz'
2025-08-31T09:31:01,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz'
2025-08-31T09:31:01,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz'
2025-08-31T09:31:01,378   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz'
2025-08-31T09:31:01,380   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz'
2025-08-31T09:31:01,382   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz'
2025-08-31T09:31:01,384   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz'
2025-08-31T09:31:01,386   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz'
2025-08-31T09:31:01,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz'
2025-08-31T09:31:01,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz'
2025-08-31T09:31:01,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz'
2025-08-31T09:31:01,394   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz'
2025-08-31T09:31:01,396   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz'
2025-08-31T09:31:01,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz'
2025-08-31T09:31:01,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz'
2025-08-31T09:31:01,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz'
2025-08-31T09:31:01,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz'
2025-08-31T09:31:01,406   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz'
2025-08-31T09:31:01,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz'
2025-08-31T09:31:01,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz'
2025-08-31T09:31:01,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz'
2025-08-31T09:31:01,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz'
2025-08-31T09:31:01,415   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz'
2025-08-31T09:31:01,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz'
2025-08-31T09:31:01,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz'
2025-08-31T09:31:01,420   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz'
2025-08-31T09:31:01,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz'
2025-08-31T09:31:01,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz'
2025-08-31T09:31:01,426   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz'
2025-08-31T09:31:01,428   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz'
2025-08-31T09:31:01,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz'
2025-08-31T09:31:01,431   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz'
2025-08-31T09:31:01,433   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz'
2025-08-31T09:31:01,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz'
2025-08-31T09:31:01,436   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz'
2025-08-31T09:31:01,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz'
2025-08-31T09:31:01,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz'
2025-08-31T09:31:01,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz'
2025-08-31T09:31:01,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz'
2025-08-31T09:31:01,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz'
2025-08-31T09:31:01,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz'
2025-08-31T09:31:01,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz'
2025-08-31T09:31:01,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz'
2025-08-31T09:31:01,452   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz'
2025-08-31T09:31:01,454   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz'
2025-08-31T09:31:01,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz'
2025-08-31T09:31:01,457   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz'
2025-08-31T09:31:01,459   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz'
2025-08-31T09:31:01,461   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz'
2025-08-31T09:31:01,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz'
2025-08-31T09:31:01,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz'
2025-08-31T09:31:01,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz'
2025-08-31T09:31:01,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz'
2025-08-31T09:31:01,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz'
2025-08-31T09:31:01,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz'
2025-08-31T09:31:01,472   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz'
2025-08-31T09:31:01,474   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz'
2025-08-31T09:31:01,476   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz'
2025-08-31T09:31:01,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz'
2025-08-31T09:31:01,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz'
2025-08-31T09:31:01,481   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz'
2025-08-31T09:31:01,483   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz'
2025-08-31T09:31:01,485   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz'
2025-08-31T09:31:01,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz'
2025-08-31T09:31:01,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz'
2025-08-31T09:31:01,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz'
2025-08-31T09:31:01,492   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz'
2025-08-31T09:31:01,494   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz'
2025-08-31T09:31:01,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz'
2025-08-31T09:31:01,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz'
2025-08-31T09:31:01,500   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz'
2025-08-31T09:31:01,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz'
2025-08-31T09:31:01,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz'
2025-08-31T09:31:01,505   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz'
2025-08-31T09:31:01,507   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz'
2025-08-31T09:31:01,509   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz'
2025-08-31T09:31:01,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz'
2025-08-31T09:31:01,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz'
2025-08-31T09:31:01,514   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz'
2025-08-31T09:31:01,516   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz'
2025-08-31T09:31:01,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz'
2025-08-31T09:31:01,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz'
2025-08-31T09:31:01,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz'
2025-08-31T09:31:01,523   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz'
2025-08-31T09:31:01,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz'
2025-08-31T09:31:01,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz'
2025-08-31T09:31:01,530   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz'
2025-08-31T09:31:01,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz'
2025-08-31T09:31:01,534   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz'
2025-08-31T09:31:01,536   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts/struc.xyz'
2025-08-31T09:31:01,538   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz'
2025-08-31T09:31:01,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts/struc.xyz'
2025-08-31T09:31:01,541   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz'
2025-08-31T09:31:01,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts/struc.xyz'
2025-08-31T09:31:01,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz'
2025-08-31T09:31:01,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts/struc.xyz'
2025-08-31T09:31:01,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz'
2025-08-31T09:31:01,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts/struc.xyz'
2025-08-31T09:31:01,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz'
2025-08-31T09:31:01,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz'
2025-08-31T09:31:01,555   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts/struc.xyz'
2025-08-31T09:31:01,557   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz'
2025-08-31T09:31:01,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts/struc.xyz'
2025-08-31T09:31:01,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz'
2025-08-31T09:31:01,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts/struc.xyz'
2025-08-31T09:31:01,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz'
2025-08-31T09:31:01,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts/struc.xyz'
2025-08-31T09:31:01,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz'
2025-08-31T09:31:01,574   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts/struc.xyz'
2025-08-31T09:31:01,581   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz'
2025-08-31T09:31:01,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz'
2025-08-31T09:31:01,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts/struc.xyz'
2025-08-31T09:31:01,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz'
2025-08-31T09:31:01,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts/struc.xyz'
2025-08-31T09:31:01,591   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz'
2025-08-31T09:31:01,593   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts/struc.xyz'
2025-08-31T09:31:01,596   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz'
2025-08-31T09:31:01,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz'
2025-08-31T09:31:01,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz'
2025-08-31T09:31:01,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz'
2025-08-31T09:31:01,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz'
2025-08-31T09:31:01,609   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz'
2025-08-31T09:31:01,610   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz'
2025-08-31T09:31:01,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz'
2025-08-31T09:31:01,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz'
2025-08-31T09:31:01,615   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz'
2025-08-31T09:31:01,617   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz'
2025-08-31T09:31:01,619   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz'
2025-08-31T09:31:01,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz'
2025-08-31T09:31:01,622   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz'
2025-08-31T09:31:01,624   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz'
2025-08-31T09:31:01,626   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz'
2025-08-31T09:31:01,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz'
2025-08-31T09:31:01,629   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz'
2025-08-31T09:31:01,631   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz'
2025-08-31T09:31:01,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz'
2025-08-31T09:31:01,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz'
2025-08-31T09:31:01,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz'
2025-08-31T09:31:01,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz'
2025-08-31T09:31:01,640   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz'
2025-08-31T09:31:01,642   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz'
2025-08-31T09:31:01,644   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz'
2025-08-31T09:31:01,646   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz'
2025-08-31T09:31:01,648   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz'
2025-08-31T09:31:01,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz'
2025-08-31T09:31:01,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz'
2025-08-31T09:31:01,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz'
2025-08-31T09:31:01,655   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz'
2025-08-31T09:31:01,657   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz'
2025-08-31T09:31:01,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz'
2025-08-31T09:31:01,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz'
2025-08-31T09:31:01,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz'
2025-08-31T09:31:01,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz'
2025-08-31T09:31:01,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz'
2025-08-31T09:31:01,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz'
2025-08-31T09:31:01,669   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz'
2025-08-31T09:31:01,671   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz'
2025-08-31T09:31:01,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz'
2025-08-31T09:31:01,675   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz'
2025-08-31T09:31:01,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz'
2025-08-31T09:31:01,679   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz'
2025-08-31T09:31:01,681   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz'
2025-08-31T09:31:01,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz'
2025-08-31T09:31:01,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz'
2025-08-31T09:31:01,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz'
2025-08-31T09:31:01,687   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz'
2025-08-31T09:31:01,689   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz'
2025-08-31T09:31:01,691   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz'
2025-08-31T09:31:01,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz'
2025-08-31T09:31:01,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz'
2025-08-31T09:31:01,695   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz'
2025-08-31T09:31:01,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz'
2025-08-31T09:31:01,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz'
2025-08-31T09:31:01,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz'
2025-08-31T09:31:01,702   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz'
2025-08-31T09:31:01,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz'
2025-08-31T09:31:01,706   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz'
2025-08-31T09:31:01,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz'
2025-08-31T09:31:01,709   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz'
2025-08-31T09:31:01,711   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz'
2025-08-31T09:31:01,713   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz'
2025-08-31T09:31:01,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz'
2025-08-31T09:31:01,718   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz'
2025-08-31T09:31:01,719   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz'
2025-08-31T09:31:01,721   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz'
2025-08-31T09:31:01,723   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz'
2025-08-31T09:31:01,725   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz'
2025-08-31T09:31:01,727   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz'
2025-08-31T09:31:01,729   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz'
2025-08-31T09:31:01,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz'
2025-08-31T09:31:01,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz'
2025-08-31T09:31:01,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz'
2025-08-31T09:31:01,736   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz'
2025-08-31T09:31:01,738   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz'
2025-08-31T09:31:01,740   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz'
2025-08-31T09:31:01,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz'
2025-08-31T09:31:01,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz'
2025-08-31T09:31:01,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz'
2025-08-31T09:31:01,747   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz'
2025-08-31T09:31:01,749   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz'
2025-08-31T09:31:01,751   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz'
2025-08-31T09:31:01,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz'
2025-08-31T09:31:01,755   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz'
2025-08-31T09:31:01,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz'
2025-08-31T09:31:01,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz'
2025-08-31T09:31:01,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz'
2025-08-31T09:31:01,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz'
2025-08-31T09:31:01,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz'
2025-08-31T09:31:01,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz'
2025-08-31T09:31:01,766   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz'
2025-08-31T09:31:01,768   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz'
2025-08-31T09:31:01,770   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz'
2025-08-31T09:31:01,771   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz'
2025-08-31T09:31:01,773   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz'
2025-08-31T09:31:01,775   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz'
2025-08-31T09:31:01,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz'
2025-08-31T09:31:01,779   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz'
2025-08-31T09:31:01,781   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz'
2025-08-31T09:31:01,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz'
2025-08-31T09:31:01,784   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz'
2025-08-31T09:31:01,786   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz'
2025-08-31T09:31:01,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz'
2025-08-31T09:31:01,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz'
2025-08-31T09:31:01,791   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz'
2025-08-31T09:31:01,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz'
2025-08-31T09:31:01,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz'
2025-08-31T09:31:01,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz'
2025-08-31T09:31:01,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz'
2025-08-31T09:31:01,800   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz'
2025-08-31T09:31:01,802   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz'
2025-08-31T09:31:01,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz'
2025-08-31T09:31:01,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz'
2025-08-31T09:31:01,807   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz'
2025-08-31T09:31:01,809   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz'
2025-08-31T09:31:01,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz'
2025-08-31T09:31:01,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz'
2025-08-31T09:31:01,815   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz'
2025-08-31T09:31:01,817   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz'
2025-08-31T09:31:01,818   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz'
2025-08-31T09:31:01,820   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz'
2025-08-31T09:31:01,822   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz'
2025-08-31T09:31:01,824   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz'
2025-08-31T09:31:01,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz'
2025-08-31T09:31:01,827   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz'
2025-08-31T09:31:01,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz'
2025-08-31T09:31:01,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz'
2025-08-31T09:31:01,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz'
2025-08-31T09:31:01,833   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz'
2025-08-31T09:31:01,835   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz'
2025-08-31T09:31:01,837   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz'
2025-08-31T09:31:01,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz'
2025-08-31T09:31:01,841   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz'
2025-08-31T09:31:01,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz'
2025-08-31T09:31:01,844   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz'
2025-08-31T09:31:01,846   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz'
2025-08-31T09:31:01,848   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz'
2025-08-31T09:31:01,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz'
2025-08-31T09:31:01,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz'
2025-08-31T09:31:01,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz'
2025-08-31T09:31:01,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz'
2025-08-31T09:31:01,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz'
2025-08-31T09:31:01,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz'
2025-08-31T09:31:01,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz'
2025-08-31T09:31:01,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz'
2025-08-31T09:31:01,863   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz'
2025-08-31T09:31:01,865   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz'
2025-08-31T09:31:01,867   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz'
2025-08-31T09:31:01,869   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz'
2025-08-31T09:31:01,871   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz'
2025-08-31T09:31:01,872   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz'
2025-08-31T09:31:01,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz'
2025-08-31T09:31:01,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz'
2025-08-31T09:31:01,879   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz'
2025-08-31T09:31:01,881   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz'
2025-08-31T09:31:01,883   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz'
2025-08-31T09:31:01,885   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz'
2025-08-31T09:31:01,887   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz'
2025-08-31T09:31:01,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz'
2025-08-31T09:31:01,890   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz'
2025-08-31T09:31:01,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz'
2025-08-31T09:31:01,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz'
2025-08-31T09:31:01,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz'
2025-08-31T09:31:01,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz'
2025-08-31T09:31:01,899   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz'
2025-08-31T09:31:01,901   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz'
2025-08-31T09:31:01,903   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz'
2025-08-31T09:31:01,905   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz'
2025-08-31T09:31:01,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz'
2025-08-31T09:31:01,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz'
2025-08-31T09:31:01,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz'
2025-08-31T09:31:01,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz'
2025-08-31T09:31:01,913   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz'
2025-08-31T09:31:01,915   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz'
2025-08-31T09:31:01,916   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz'
2025-08-31T09:31:01,918   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz'
2025-08-31T09:31:01,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz'
2025-08-31T09:31:01,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz'
2025-08-31T09:31:01,923   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz'
2025-08-31T09:31:01,925   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz'
2025-08-31T09:31:01,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz'
2025-08-31T09:31:01,930   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz'
2025-08-31T09:31:01,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz'
2025-08-31T09:31:01,933   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz'
2025-08-31T09:31:01,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz'
2025-08-31T09:31:01,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz'
2025-08-31T09:31:01,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz'
2025-08-31T09:31:01,941   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz'
2025-08-31T09:31:01,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz'
2025-08-31T09:31:01,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz'
2025-08-31T09:31:01,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz'
2025-08-31T09:31:01,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz'
2025-08-31T09:31:01,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz'
2025-08-31T09:31:01,952   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz'
2025-08-31T09:31:01,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz'
2025-08-31T09:31:01,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz'
2025-08-31T09:31:01,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz'
2025-08-31T09:31:01,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz'
2025-08-31T09:31:01,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz'
2025-08-31T09:31:01,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz'
2025-08-31T09:31:01,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz'
2025-08-31T09:31:01,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz'
2025-08-31T09:31:01,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz'
2025-08-31T09:31:01,970   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz'
2025-08-31T09:31:01,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz'
2025-08-31T09:31:01,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz'
2025-08-31T09:31:01,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz'
2025-08-31T09:31:01,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz'
2025-08-31T09:31:01,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz'
2025-08-31T09:31:01,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz'
2025-08-31T09:31:01,985   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz'
2025-08-31T09:31:01,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz'
2025-08-31T09:31:01,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz'
2025-08-31T09:31:01,990   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz'
2025-08-31T09:31:01,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz'
2025-08-31T09:31:01,993   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz'
2025-08-31T09:31:01,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz'
2025-08-31T09:31:01,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz'
2025-08-31T09:31:01,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz'
2025-08-31T09:31:02,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz'
2025-08-31T09:31:02,003   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz'
2025-08-31T09:31:02,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz'
2025-08-31T09:31:02,006   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz'
2025-08-31T09:31:02,008   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz'
2025-08-31T09:31:02,010   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz'
2025-08-31T09:31:02,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz'
2025-08-31T09:31:02,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz'
2025-08-31T09:31:02,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz'
2025-08-31T09:31:02,017   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz'
2025-08-31T09:31:02,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz'
2025-08-31T09:31:02,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz'
2025-08-31T09:31:02,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz'
2025-08-31T09:31:02,025   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz'
2025-08-31T09:31:02,027   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz'
2025-08-31T09:31:02,029   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz'
2025-08-31T09:31:02,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz'
2025-08-31T09:31:02,032   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz'
2025-08-31T09:31:02,034   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz'
2025-08-31T09:31:02,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz'
2025-08-31T09:31:02,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz'
2025-08-31T09:31:02,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz'
2025-08-31T09:31:02,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz'
2025-08-31T09:31:02,043   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz'
2025-08-31T09:31:02,045   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz'
2025-08-31T09:31:02,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz'
2025-08-31T09:31:02,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz'
2025-08-31T09:31:02,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz'
2025-08-31T09:31:02,052   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz'
2025-08-31T09:31:02,054   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz'
2025-08-31T09:31:02,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz'
2025-08-31T09:31:02,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz'
2025-08-31T09:31:02,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz'
2025-08-31T09:31:02,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz'
2025-08-31T09:31:02,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz'
2025-08-31T09:31:02,065   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz'
2025-08-31T09:31:02,067   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz'
2025-08-31T09:31:02,069   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz'
2025-08-31T09:31:02,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz'
2025-08-31T09:31:02,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz'
2025-08-31T09:31:02,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz'
2025-08-31T09:31:02,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz'
2025-08-31T09:31:02,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz'
2025-08-31T09:31:02,103   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz'
2025-08-31T09:31:02,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz'
2025-08-31T09:31:02,118   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz'
2025-08-31T09:31:02,127   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz'
2025-08-31T09:31:02,133   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz'
2025-08-31T09:31:02,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz'
2025-08-31T09:31:02,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz'
2025-08-31T09:31:02,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz'
2025-08-31T09:31:02,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz'
2025-08-31T09:31:02,154   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz'
2025-08-31T09:31:02,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz'
2025-08-31T09:31:02,160   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz'
2025-08-31T09:31:02,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz'
2025-08-31T09:31:02,166   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz'
2025-08-31T09:31:02,170   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz'
2025-08-31T09:31:02,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz'
2025-08-31T09:31:02,178   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz'
2025-08-31T09:31:02,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz'
2025-08-31T09:31:02,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz'
2025-08-31T09:31:02,189   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz'
2025-08-31T09:31:02,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz'
2025-08-31T09:31:02,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz'
2025-08-31T09:31:02,201   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz'
2025-08-31T09:31:02,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz'
2025-08-31T09:31:02,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz'
2025-08-31T09:31:02,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz'
2025-08-31T09:31:02,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz'
2025-08-31T09:31:02,215   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz'
2025-08-31T09:31:02,218   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz'
2025-08-31T09:31:02,220   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz'
2025-08-31T09:31:02,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz'
2025-08-31T09:31:02,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz'
2025-08-31T09:31:02,227   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz'
2025-08-31T09:31:02,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz'
2025-08-31T09:31:02,234   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz'
2025-08-31T09:31:02,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz'
2025-08-31T09:31:02,241   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz'
2025-08-31T09:31:02,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz'
2025-08-31T09:31:02,246   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz'
2025-08-31T09:31:02,248   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz'
2025-08-31T09:31:02,250   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz'
2025-08-31T09:31:02,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz'
2025-08-31T09:31:02,253   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz'
2025-08-31T09:31:02,255   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz'
2025-08-31T09:31:02,257   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz'
2025-08-31T09:31:02,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz'
2025-08-31T09:31:02,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz'
2025-08-31T09:31:02,264   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz'
2025-08-31T09:31:02,266   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz'
2025-08-31T09:31:02,268   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz'
2025-08-31T09:31:02,270   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz'
2025-08-31T09:31:02,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz'
2025-08-31T09:31:02,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz'
2025-08-31T09:31:02,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz'
2025-08-31T09:31:02,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz'
2025-08-31T09:31:02,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz'
2025-08-31T09:31:02,282   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz'
2025-08-31T09:31:02,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz'
2025-08-31T09:31:02,285   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz'
2025-08-31T09:31:02,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz'
2025-08-31T09:31:02,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz'
2025-08-31T09:31:02,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz'
2025-08-31T09:31:02,293   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz'
2025-08-31T09:31:02,295   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz'
2025-08-31T09:31:02,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz'
2025-08-31T09:31:02,298   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz'
2025-08-31T09:31:02,300   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz'
2025-08-31T09:31:02,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz'
2025-08-31T09:31:02,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz'
2025-08-31T09:31:02,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz'
2025-08-31T09:31:02,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz'
2025-08-31T09:31:02,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz'
2025-08-31T09:31:02,311   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz'
2025-08-31T09:31:02,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz'
2025-08-31T09:31:02,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz'
2025-08-31T09:31:02,316   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz'
2025-08-31T09:31:02,318   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz'
2025-08-31T09:31:02,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz'
2025-08-31T09:31:02,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz'
2025-08-31T09:31:02,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz'
2025-08-31T09:31:02,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz'
2025-08-31T09:31:02,326   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz'
2025-08-31T09:31:02,328   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz'
2025-08-31T09:31:02,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz'
2025-08-31T09:31:02,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz'
2025-08-31T09:31:02,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz'
2025-08-31T09:31:02,335   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz'
2025-08-31T09:31:02,337   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz'
2025-08-31T09:31:02,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz'
2025-08-31T09:31:02,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz'
2025-08-31T09:31:02,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz'
2025-08-31T09:31:02,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz'
2025-08-31T09:31:02,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz'
2025-08-31T09:31:02,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz'
2025-08-31T09:31:02,350   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz'
2025-08-31T09:31:02,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz'
2025-08-31T09:31:02,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz'
2025-08-31T09:31:02,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz'
2025-08-31T09:31:02,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz'
2025-08-31T09:31:02,360   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz'
2025-08-31T09:31:02,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz'
2025-08-31T09:31:02,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz'
2025-08-31T09:31:02,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz'
2025-08-31T09:31:02,368   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz'
2025-08-31T09:31:02,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz'
2025-08-31T09:31:02,589   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz'
2025-08-31T09:31:02,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz'
2025-08-31T09:31:02,595   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz'
2025-08-31T09:31:02,599   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz'
2025-08-31T09:31:02,601   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz'
2025-08-31T09:31:02,604   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz'
2025-08-31T09:31:02,607   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz'
2025-08-31T09:31:02,611   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz'
2025-08-31T09:31:02,612   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz'
2025-08-31T09:31:02,614   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz'
2025-08-31T09:31:02,616   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz'
2025-08-31T09:31:02,618   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz'
2025-08-31T09:31:02,620   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz'
2025-08-31T09:31:02,621   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz'
2025-08-31T09:31:02,623   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz'
2025-08-31T09:31:02,625   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz'
2025-08-31T09:31:02,627   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz'
2025-08-31T09:31:02,628   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz'
2025-08-31T09:31:02,630   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz'
2025-08-31T09:31:02,632   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz'
2025-08-31T09:31:02,633   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz'
2025-08-31T09:31:02,635   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz'
2025-08-31T09:31:02,637   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz'
2025-08-31T09:31:02,639   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz'
2025-08-31T09:31:02,641   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz'
2025-08-31T09:31:02,643   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz'
2025-08-31T09:31:02,645   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz'
2025-08-31T09:31:02,647   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz'
2025-08-31T09:31:02,649   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz'
2025-08-31T09:31:02,651   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz'
2025-08-31T09:31:02,653   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz'
2025-08-31T09:31:02,654   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz'
2025-08-31T09:31:02,656   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz'
2025-08-31T09:31:02,658   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz'
2025-08-31T09:31:02,660   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz'
2025-08-31T09:31:02,662   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz'
2025-08-31T09:31:02,664   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz'
2025-08-31T09:31:02,666   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz'
2025-08-31T09:31:02,667   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz'
2025-08-31T09:31:02,670   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz'
2025-08-31T09:31:02,672   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz'
2025-08-31T09:31:02,674   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz'
2025-08-31T09:31:02,676   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz'
2025-08-31T09:31:02,677   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz'
2025-08-31T09:31:02,680   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz'
2025-08-31T09:31:02,682   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz'
2025-08-31T09:31:02,684   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz'
2025-08-31T09:31:02,686   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz'
2025-08-31T09:31:02,688   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz'
2025-08-31T09:31:02,690   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz'
2025-08-31T09:31:02,692   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz'
2025-08-31T09:31:02,694   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz'
2025-08-31T09:31:02,696   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz'
2025-08-31T09:31:02,697   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz'
2025-08-31T09:31:02,699   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz'
2025-08-31T09:31:02,701   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz'
2025-08-31T09:31:02,703   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz'
2025-08-31T09:31:02,704   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz'
2025-08-31T09:31:02,707   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz'
2025-08-31T09:31:02,708   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz'
2025-08-31T09:31:02,710   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz'
2025-08-31T09:31:02,712   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz'
2025-08-31T09:31:02,714   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz'
2025-08-31T09:31:02,716   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz'
2025-08-31T09:31:02,717   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz'
2025-08-31T09:31:02,720   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz'
2025-08-31T09:31:02,722   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz'
2025-08-31T09:31:02,724   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz'
2025-08-31T09:31:02,726   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz'
2025-08-31T09:31:02,728   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz'
2025-08-31T09:31:02,730   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz'
2025-08-31T09:31:02,732   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz'
2025-08-31T09:31:02,734   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz'
2025-08-31T09:31:02,735   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz'
2025-08-31T09:31:02,737   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz'
2025-08-31T09:31:02,739   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz'
2025-08-31T09:31:02,741   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz'
2025-08-31T09:31:02,742   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz'
2025-08-31T09:31:02,744   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz'
2025-08-31T09:31:02,746   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz'
2025-08-31T09:31:02,748   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz'
2025-08-31T09:31:02,753   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz'
2025-08-31T09:31:02,754   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz'
2025-08-31T09:31:02,756   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz'
2025-08-31T09:31:02,758   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz'
2025-08-31T09:31:02,760   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz'
2025-08-31T09:31:02,761   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz'
2025-08-31T09:31:02,763   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz'
2025-08-31T09:31:02,765   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz'
2025-08-31T09:31:02,767   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz'
2025-08-31T09:31:02,769   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz'
2025-08-31T09:31:02,772   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz'
2025-08-31T09:31:02,774   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz'
2025-08-31T09:31:02,777   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz'
2025-08-31T09:31:02,778   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz'
2025-08-31T09:31:02,780   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz'
2025-08-31T09:31:02,782   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz'
2025-08-31T09:31:02,783   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz'
2025-08-31T09:31:02,785   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz'
2025-08-31T09:31:02,787   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz'
2025-08-31T09:31:02,788   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz'
2025-08-31T09:31:02,790   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz'
2025-08-31T09:31:02,792   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz'
2025-08-31T09:31:02,793   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz'
2025-08-31T09:31:02,795   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz'
2025-08-31T09:31:02,797   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz'
2025-08-31T09:31:02,799   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz'
2025-08-31T09:31:02,801   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz'
2025-08-31T09:31:02,803   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz'
2025-08-31T09:31:02,804   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz'
2025-08-31T09:31:02,806   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz'
2025-08-31T09:31:02,808   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz'
2025-08-31T09:31:02,810   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz'
2025-08-31T09:31:02,811   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz'
2025-08-31T09:31:02,813   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz'
2025-08-31T09:31:02,816   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz'
2025-08-31T09:31:02,819   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz'
2025-08-31T09:31:02,823   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz'
2025-08-31T09:31:02,825   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz'
2025-08-31T09:31:02,826   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz'
2025-08-31T09:31:02,828   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz'
2025-08-31T09:31:02,830   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz'
2025-08-31T09:31:02,832   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz'
2025-08-31T09:31:02,834   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz'
2025-08-31T09:31:02,836   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz'
2025-08-31T09:31:02,839   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz'
2025-08-31T09:31:02,842   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz'
2025-08-31T09:31:02,845   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz'
2025-08-31T09:31:02,849   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz'
2025-08-31T09:31:02,851   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz'
2025-08-31T09:31:02,853   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz'
2025-08-31T09:31:02,855   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz'
2025-08-31T09:31:02,856   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz'
2025-08-31T09:31:02,858   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz'
2025-08-31T09:31:02,860   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz'
2025-08-31T09:31:02,862   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz'
2025-08-31T09:31:02,864   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz'
2025-08-31T09:31:02,866   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz'
2025-08-31T09:31:02,868   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz'
2025-08-31T09:31:02,870   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz'
2025-08-31T09:31:02,873   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz'
2025-08-31T09:31:02,875   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz'
2025-08-31T09:31:02,877   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz'
2025-08-31T09:31:02,880   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz'
2025-08-31T09:31:02,882   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz'
2025-08-31T09:31:02,884   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz'
2025-08-31T09:31:02,886   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz'
2025-08-31T09:31:02,888   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz'
2025-08-31T09:31:02,891   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz'
2025-08-31T09:31:02,892   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz'
2025-08-31T09:31:02,894   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz'
2025-08-31T09:31:02,896   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz'
2025-08-31T09:31:02,898   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz'
2025-08-31T09:31:02,900   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz'
2025-08-31T09:31:02,902   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz'
2025-08-31T09:31:02,904   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz'
2025-08-31T09:31:02,906   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz'
2025-08-31T09:31:02,908   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz'
2025-08-31T09:31:02,910   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz'
2025-08-31T09:31:02,912   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz'
2025-08-31T09:31:02,914   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz'
2025-08-31T09:31:02,917   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz'
2025-08-31T09:31:02,919   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz'
2025-08-31T09:31:02,920   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz'
2025-08-31T09:31:02,922   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz'
2025-08-31T09:31:02,924   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz'
2025-08-31T09:31:02,926   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz'
2025-08-31T09:31:02,927   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz'
2025-08-31T09:31:02,929   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz'
2025-08-31T09:31:02,931   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz'
2025-08-31T09:31:02,932   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz'
2025-08-31T09:31:02,934   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz'
2025-08-31T09:31:02,935   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz'
2025-08-31T09:31:02,937   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz'
2025-08-31T09:31:02,939   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz'
2025-08-31T09:31:02,940   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz'
2025-08-31T09:31:02,942   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz'
2025-08-31T09:31:02,944   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz'
2025-08-31T09:31:02,946   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz'
2025-08-31T09:31:02,948   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz'
2025-08-31T09:31:02,950   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz'
2025-08-31T09:31:02,951   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz'
2025-08-31T09:31:02,953   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz'
2025-08-31T09:31:02,955   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz'
2025-08-31T09:31:02,957   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz'
2025-08-31T09:31:02,959   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz'
2025-08-31T09:31:02,961   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz'
2025-08-31T09:31:02,962   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz'
2025-08-31T09:31:02,964   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz'
2025-08-31T09:31:02,966   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz'
2025-08-31T09:31:02,968   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz'
2025-08-31T09:31:02,969   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz'
2025-08-31T09:31:02,971   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz'
2025-08-31T09:31:02,973   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25/struc.xyz'
2025-08-31T09:31:02,975   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5/struc.xyz'
2025-08-31T09:31:02,977   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75/struc.xyz'
2025-08-31T09:31:02,979   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz'
2025-08-31T09:31:02,980   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz'
2025-08-31T09:31:02,982   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz'
2025-08-31T09:31:02,984   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz'
2025-08-31T09:31:02,986   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz'
2025-08-31T09:31:02,987   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz'
2025-08-31T09:31:02,989   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz'
2025-08-31T09:31:02,991   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz'
2025-08-31T09:31:02,992   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz'
2025-08-31T09:31:02,994   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz'
2025-08-31T09:31:02,995   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz'
2025-08-31T09:31:02,997   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz'
2025-08-31T09:31:02,999   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz'
2025-08-31T09:31:03,001   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz'
2025-08-31T09:31:03,002   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz'
2025-08-31T09:31:03,004   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz'
2025-08-31T09:31:03,005   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz'
2025-08-31T09:31:03,007   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz'
2025-08-31T09:31:03,009   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz'
2025-08-31T09:31:03,011   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz'
2025-08-31T09:31:03,012   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz'
2025-08-31T09:31:03,014   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz'
2025-08-31T09:31:03,016   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz'
2025-08-31T09:31:03,018   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz'
2025-08-31T09:31:03,019   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz'
2025-08-31T09:31:03,021   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz'
2025-08-31T09:31:03,023   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz'
2025-08-31T09:31:03,024   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz'
2025-08-31T09:31:03,026   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz'
2025-08-31T09:31:03,028   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz'
2025-08-31T09:31:03,030   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz'
2025-08-31T09:31:03,031   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz'
2025-08-31T09:31:03,033   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz'
2025-08-31T09:31:03,035   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz'
2025-08-31T09:31:03,036   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz'
2025-08-31T09:31:03,038   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz'
2025-08-31T09:31:03,040   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz'
2025-08-31T09:31:03,042   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz'
2025-08-31T09:31:03,044   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz'
2025-08-31T09:31:03,046   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz'
2025-08-31T09:31:03,047   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz'
2025-08-31T09:31:03,049   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz'
2025-08-31T09:31:03,051   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz'
2025-08-31T09:31:03,053   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz'
2025-08-31T09:31:03,055   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz'
2025-08-31T09:31:03,056   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz'
2025-08-31T09:31:03,058   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz'
2025-08-31T09:31:03,059   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz'
2025-08-31T09:31:03,061   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz'
2025-08-31T09:31:03,063   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz'
2025-08-31T09:31:03,064   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz'
2025-08-31T09:31:03,066   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz'
2025-08-31T09:31:03,068   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz'
2025-08-31T09:31:03,070   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz'
2025-08-31T09:31:03,071   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz'
2025-08-31T09:31:03,074   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz'
2025-08-31T09:31:03,076   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz'
2025-08-31T09:31:03,078   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz'
2025-08-31T09:31:03,080   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz'
2025-08-31T09:31:03,081   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz'
2025-08-31T09:31:03,083   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz'
2025-08-31T09:31:03,085   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz'
2025-08-31T09:31:03,087   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz'
2025-08-31T09:31:03,089   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz'
2025-08-31T09:31:03,091   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz'
2025-08-31T09:31:03,092   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz'
2025-08-31T09:31:03,094   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz'
2025-08-31T09:31:03,096   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz'
2025-08-31T09:31:03,098   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz'
2025-08-31T09:31:03,100   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz'
2025-08-31T09:31:03,102   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz'
2025-08-31T09:31:03,104   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz'
2025-08-31T09:31:03,106   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz'
2025-08-31T09:31:03,108   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz'
2025-08-31T09:31:03,110   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz'
2025-08-31T09:31:03,111   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz'
2025-08-31T09:31:03,113   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz'
2025-08-31T09:31:03,115   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz'
2025-08-31T09:31:03,117   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz'
2025-08-31T09:31:03,119   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz'
2025-08-31T09:31:03,122   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz'
2025-08-31T09:31:03,124   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz'
2025-08-31T09:31:03,126   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz'
2025-08-31T09:31:03,128   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz'
2025-08-31T09:31:03,130   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz'
2025-08-31T09:31:03,132   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz'
2025-08-31T09:31:03,134   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz'
2025-08-31T09:31:03,136   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz'
2025-08-31T09:31:03,138   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz'
2025-08-31T09:31:03,140   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz'
2025-08-31T09:31:03,142   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz'
2025-08-31T09:31:03,144   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz'
2025-08-31T09:31:03,147   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz'
2025-08-31T09:31:03,149   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz'
2025-08-31T09:31:03,151   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz'
2025-08-31T09:31:03,153   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz'
2025-08-31T09:31:03,155   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz'
2025-08-31T09:31:03,157   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz'
2025-08-31T09:31:03,159   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz'
2025-08-31T09:31:03,161   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz'
2025-08-31T09:31:03,163   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz'
2025-08-31T09:31:03,165   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz'
2025-08-31T09:31:03,167   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz'
2025-08-31T09:31:03,169   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz'
2025-08-31T09:31:03,174   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz'
2025-08-31T09:31:03,176   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz'
2025-08-31T09:31:03,177   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz'
2025-08-31T09:31:03,179   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz'
2025-08-31T09:31:03,181   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz'
2025-08-31T09:31:03,182   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz'
2025-08-31T09:31:03,184   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz'
2025-08-31T09:31:03,186   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz'
2025-08-31T09:31:03,188   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz'
2025-08-31T09:31:03,190   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz'
2025-08-31T09:31:03,192   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz'
2025-08-31T09:31:03,193   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz'
2025-08-31T09:31:03,195   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz'
2025-08-31T09:31:03,197   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz'
2025-08-31T09:31:03,199   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz'
2025-08-31T09:31:03,200   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz'
2025-08-31T09:31:03,202   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz'
2025-08-31T09:31:03,204   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz'
2025-08-31T09:31:03,206   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz'
2025-08-31T09:31:03,207   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz'
2025-08-31T09:31:03,209   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz'
2025-08-31T09:31:03,211   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz'
2025-08-31T09:31:03,212   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz'
2025-08-31T09:31:03,214   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz'
2025-08-31T09:31:03,216   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz'
2025-08-31T09:31:03,217   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh/struc.xyz'
2025-08-31T09:31:03,219   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono/struc.xyz'
2025-08-31T09:31:03,221   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo/struc.xyz'
2025-08-31T09:31:03,222   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2/struc.xyz'
2025-08-31T09:31:03,224   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz'
2025-08-31T09:31:03,226   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz'
2025-08-31T09:31:03,228   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz'
2025-08-31T09:31:03,230   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz'
2025-08-31T09:31:03,231   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz'
2025-08-31T09:31:03,233   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz'
2025-08-31T09:31:03,235   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz'
2025-08-31T09:31:03,237   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz'
2025-08-31T09:31:03,238   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz'
2025-08-31T09:31:03,240   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz'
2025-08-31T09:31:03,242   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz'
2025-08-31T09:31:03,244   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz'
2025-08-31T09:31:03,245   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing/struc.xyz'
2025-08-31T09:31:03,247   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip/struc.xyz'
2025-08-31T09:31:03,249   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz'
2025-08-31T09:31:03,251   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz'
2025-08-31T09:31:03,252   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz'
2025-08-31T09:31:03,254   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz'
2025-08-31T09:31:03,256   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz'
2025-08-31T09:31:03,258   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz'
2025-08-31T09:31:03,260   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz'
2025-08-31T09:31:03,262   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz'
2025-08-31T09:31:03,263   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz'
2025-08-31T09:31:03,265   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz'
2025-08-31T09:31:03,267   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz'
2025-08-31T09:31:03,269   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz'
2025-08-31T09:31:03,271   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz'
2025-08-31T09:31:03,272   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz'
2025-08-31T09:31:03,274   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz'
2025-08-31T09:31:03,276   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz'
2025-08-31T09:31:03,278   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz'
2025-08-31T09:31:03,280   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz'
2025-08-31T09:31:03,281   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz'
2025-08-31T09:31:03,283   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz'
2025-08-31T09:31:03,284   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz'
2025-08-31T09:31:03,286   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz'
2025-08-31T09:31:03,287   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz'
2025-08-31T09:31:03,289   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz'
2025-08-31T09:31:03,291   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz'
2025-08-31T09:31:03,292   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz'
2025-08-31T09:31:03,294   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz'
2025-08-31T09:31:03,296   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz'
2025-08-31T09:31:03,297   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz'
2025-08-31T09:31:03,299   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz'
2025-08-31T09:31:03,301   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz'
2025-08-31T09:31:03,302   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz'
2025-08-31T09:31:03,304   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz'
2025-08-31T09:31:03,305   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz'
2025-08-31T09:31:03,307   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz'
2025-08-31T09:31:03,309   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz'
2025-08-31T09:31:03,310   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz'
2025-08-31T09:31:03,312   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz'
2025-08-31T09:31:03,314   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz'
2025-08-31T09:31:03,315   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz'
2025-08-31T09:31:03,317   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz'
2025-08-31T09:31:03,319   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz'
2025-08-31T09:31:03,321   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz'
2025-08-31T09:31:03,323   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz'
2025-08-31T09:31:03,325   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz'
2025-08-31T09:31:03,327   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz'
2025-08-31T09:31:03,329   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz'
2025-08-31T09:31:03,330   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz'
2025-08-31T09:31:03,332   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz'
2025-08-31T09:31:03,334   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz'
2025-08-31T09:31:03,336   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz'
2025-08-31T09:31:03,338   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz'
2025-08-31T09:31:03,339   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz'
2025-08-31T09:31:03,341   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz'
2025-08-31T09:31:03,343   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz'
2025-08-31T09:31:03,345   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz'
2025-08-31T09:31:03,347   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz'
2025-08-31T09:31:03,349   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz'
2025-08-31T09:31:03,351   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz'
2025-08-31T09:31:03,352   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz'
2025-08-31T09:31:03,354   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz'
2025-08-31T09:31:03,356   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz'
2025-08-31T09:31:03,358   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz'
2025-08-31T09:31:03,359   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz'
2025-08-31T09:31:03,361   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz'
2025-08-31T09:31:03,362   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz'
2025-08-31T09:31:03,364   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz'
2025-08-31T09:31:03,366   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz'
2025-08-31T09:31:03,367   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz'
2025-08-31T09:31:03,369   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz'
2025-08-31T09:31:03,370   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz'
2025-08-31T09:31:03,372   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz'
2025-08-31T09:31:03,374   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz'
2025-08-31T09:31:03,376   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz'
2025-08-31T09:31:03,377   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz'
2025-08-31T09:31:03,379   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz'
2025-08-31T09:31:03,381   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz'
2025-08-31T09:31:03,383   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz'
2025-08-31T09:31:03,385   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz'
2025-08-31T09:31:03,387   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz'
2025-08-31T09:31:03,388   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz'
2025-08-31T09:31:03,390   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz'
2025-08-31T09:31:03,392   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz'
2025-08-31T09:31:03,393   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz'
2025-08-31T09:31:03,395   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz'
2025-08-31T09:31:03,397   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz'
2025-08-31T09:31:03,398   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz'
2025-08-31T09:31:03,400   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz'
2025-08-31T09:31:03,402   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz'
2025-08-31T09:31:03,404   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz'
2025-08-31T09:31:03,405   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz'
2025-08-31T09:31:03,407   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz'
2025-08-31T09:31:03,409   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v/struc.xyz'
2025-08-31T09:31:03,411   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz'
2025-08-31T09:31:03,412   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz'
2025-08-31T09:31:03,414   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz'
2025-08-31T09:31:03,416   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz'
2025-08-31T09:31:03,417   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz'
2025-08-31T09:31:03,419   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz'
2025-08-31T09:31:03,421   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz'
2025-08-31T09:31:03,422   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz'
2025-08-31T09:31:03,424   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz'
2025-08-31T09:31:03,425   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz'
2025-08-31T09:31:03,427   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz'
2025-08-31T09:31:03,429   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz'
2025-08-31T09:31:03,430   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh/struc.xyz'
2025-08-31T09:31:03,432   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono/struc.xyz'
2025-08-31T09:31:03,434   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo/struc.xyz'
2025-08-31T09:31:03,435   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2/struc.xyz'
2025-08-31T09:31:03,438   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz'
2025-08-31T09:31:03,440   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz'
2025-08-31T09:31:03,442   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz'
2025-08-31T09:31:03,444   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz'
2025-08-31T09:31:03,445   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz'
2025-08-31T09:31:03,447   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz'
2025-08-31T09:31:03,449   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz'
2025-08-31T09:31:03,451   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz'
2025-08-31T09:31:03,453   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz'
2025-08-31T09:31:03,455   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz'
2025-08-31T09:31:03,456   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz'
2025-08-31T09:31:03,458   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz'
2025-08-31T09:31:03,460   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz'
2025-08-31T09:31:03,462   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz'
2025-08-31T09:31:03,464   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz'
2025-08-31T09:31:03,466   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz'
2025-08-31T09:31:03,467   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz'
2025-08-31T09:31:03,469   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz'
2025-08-31T09:31:03,471   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz'
2025-08-31T09:31:03,473   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz'
2025-08-31T09:31:03,475   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz'
2025-08-31T09:31:03,477   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz'
2025-08-31T09:31:03,479   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz'
2025-08-31T09:31:03,480   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz'
2025-08-31T09:31:03,482   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz'
2025-08-31T09:31:03,484   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz'
2025-08-31T09:31:03,486   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz'
2025-08-31T09:31:03,487   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz'
2025-08-31T09:31:03,489   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz'
2025-08-31T09:31:03,491   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz'
2025-08-31T09:31:03,493   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz'
2025-08-31T09:31:03,495   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz'
2025-08-31T09:31:03,496   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz'
2025-08-31T09:31:03,498   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz'
2025-08-31T09:31:03,499   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz'
2025-08-31T09:31:03,501   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz'
2025-08-31T09:31:03,503   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz'
2025-08-31T09:31:03,504   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz'
2025-08-31T09:31:03,506   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz'
2025-08-31T09:31:03,508   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz'
2025-08-31T09:31:03,510   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz'
2025-08-31T09:31:03,512   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz'
2025-08-31T09:31:03,513   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz'
2025-08-31T09:31:03,515   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz'
2025-08-31T09:31:03,517   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz'
2025-08-31T09:31:03,518   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz'
2025-08-31T09:31:03,520   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz'
2025-08-31T09:31:03,522   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz'
2025-08-31T09:31:03,524   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz'
2025-08-31T09:31:03,526   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz'
2025-08-31T09:31:03,528   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz'
2025-08-31T09:31:03,529   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz'
2025-08-31T09:31:03,531   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz'
2025-08-31T09:31:03,533   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz'
2025-08-31T09:31:03,535   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz'
2025-08-31T09:31:03,537   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz'
2025-08-31T09:31:03,539   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz'
2025-08-31T09:31:03,540   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz'
2025-08-31T09:31:03,543   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz'
2025-08-31T09:31:03,545   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz'
2025-08-31T09:31:03,547   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz'
2025-08-31T09:31:03,549   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz'
2025-08-31T09:31:03,550   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz'
2025-08-31T09:31:03,552   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz'
2025-08-31T09:31:03,554   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz'
2025-08-31T09:31:03,556   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz'
2025-08-31T09:31:03,558   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz'
2025-08-31T09:31:03,559   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz'
2025-08-31T09:31:03,561   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz'
2025-08-31T09:31:03,563   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz'
2025-08-31T09:31:03,564   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz'
2025-08-31T09:31:03,566   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz'
2025-08-31T09:31:03,568   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz'
2025-08-31T09:31:03,569   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz'
2025-08-31T09:31:03,571   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz'
2025-08-31T09:31:03,573   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz'
2025-08-31T09:31:03,575   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz'
2025-08-31T09:31:03,576   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz'
2025-08-31T09:31:03,578   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz'
2025-08-31T09:31:03,580   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz'
2025-08-31T09:31:03,582   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz'
2025-08-31T09:31:03,583   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz'
2025-08-31T09:31:03,585   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz'
2025-08-31T09:31:03,587   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz'
2025-08-31T09:31:03,588   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz'
2025-08-31T09:31:03,590   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz'
2025-08-31T09:31:03,592   adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz'
2025-08-31T09:31:03,595   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz'
2025-08-31T09:31:03,597   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz'
2025-08-31T09:31:03,599   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz'
2025-08-31T09:31:03,601   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz'
2025-08-31T09:31:03,603   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz'
2025-08-31T09:31:03,604   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz'
2025-08-31T09:31:03,606   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz'
2025-08-31T09:31:03,608   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz'
2025-08-31T09:31:03,610   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz'
2025-08-31T09:31:03,612   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz'
2025-08-31T09:31:03,614   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz'
2025-08-31T09:31:03,615   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz'
2025-08-31T09:31:03,617   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz'
2025-08-31T09:31:03,619   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz'
2025-08-31T09:31:03,621   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz'
2025-08-31T09:31:03,623   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz'
2025-08-31T09:31:03,625   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz'
2025-08-31T09:31:03,626   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz'
2025-08-31T09:31:03,629   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz'
2025-08-31T09:31:03,631   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz'
2025-08-31T09:31:03,632   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz'
2025-08-31T09:31:03,634   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz'
2025-08-31T09:31:03,636   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz'
2025-08-31T09:31:03,638   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz'
2025-08-31T09:31:03,639   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz'
2025-08-31T09:31:03,641   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz'
2025-08-31T09:31:03,643   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz'
2025-08-31T09:31:03,644   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz'
2025-08-31T09:31:03,646   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz'
2025-08-31T09:31:03,648   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz'
2025-08-31T09:31:03,651   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz'
2025-08-31T09:31:03,653   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz'
2025-08-31T09:31:03,654   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz'
2025-08-31T09:31:03,656   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz'
2025-08-31T09:31:03,658   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz'
2025-08-31T09:31:03,660   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz'
2025-08-31T09:31:03,661   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz'
2025-08-31T09:31:03,663   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz'
2025-08-31T09:31:03,665   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz'
2025-08-31T09:31:03,666   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz'
2025-08-31T09:31:03,668   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz'
2025-08-31T09:31:03,670   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz'
2025-08-31T09:31:03,672   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz'
2025-08-31T09:31:03,673   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz'
2025-08-31T09:31:03,675   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz'
2025-08-31T09:31:03,677   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz'
2025-08-31T09:31:03,679   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz'
2025-08-31T09:31:03,681   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz'
2025-08-31T09:31:03,683   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz'
2025-08-31T09:31:03,684   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz'
2025-08-31T09:31:03,686   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz'
2025-08-31T09:31:03,688   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz'
2025-08-31T09:31:03,690   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz'
2025-08-31T09:31:03,692   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz'
2025-08-31T09:31:03,693   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz'
2025-08-31T09:31:03,695   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz'
2025-08-31T09:31:03,697   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz'
2025-08-31T09:31:03,699   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz'
2025-08-31T09:31:03,701   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz'
2025-08-31T09:31:03,702   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz'
2025-08-31T09:31:03,704   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz'
2025-08-31T09:31:03,706   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz'
2025-08-31T09:31:03,708   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz'
2025-08-31T09:31:03,710   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz'
2025-08-31T09:31:03,712   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz'
2025-08-31T09:31:03,714   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz'
2025-08-31T09:31:03,715   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz'
2025-08-31T09:31:03,717   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz'
2025-08-31T09:31:03,719   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz'
2025-08-31T09:31:03,721   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz'
2025-08-31T09:31:03,723   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz'
2025-08-31T09:31:03,724   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz'
2025-08-31T09:31:03,726   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz'
2025-08-31T09:31:03,728   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz'
2025-08-31T09:31:03,729   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz'
2025-08-31T09:31:03,731   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz'
2025-08-31T09:31:03,733   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz'
2025-08-31T09:31:03,735   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz'
2025-08-31T09:31:03,739   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz'
2025-08-31T09:31:03,743   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz'
2025-08-31T09:31:03,748   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz'
2025-08-31T09:31:03,752   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz'
2025-08-31T09:31:03,755   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz'
2025-08-31T09:31:03,759   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz'
2025-08-31T09:31:03,762   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz'
2025-08-31T09:31:03,767   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz'
2025-08-31T09:31:03,770   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz'
2025-08-31T09:31:03,774   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz'
2025-08-31T09:31:03,776   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz'
2025-08-31T09:31:03,779   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz'
2025-08-31T09:31:03,781   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz'
2025-08-31T09:31:03,783   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz'
2025-08-31T09:31:03,785   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz'
2025-08-31T09:31:03,789   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz'
2025-08-31T09:31:03,792   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz'
2025-08-31T09:31:03,796   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz'
2025-08-31T09:31:03,800   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz'
2025-08-31T09:31:03,804   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz'
2025-08-31T09:31:03,808   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz'
2025-08-31T09:31:03,811   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz'
2025-08-31T09:31:03,814   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz'
2025-08-31T09:31:03,818   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz'
2025-08-31T09:31:03,822   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz'
2025-08-31T09:31:03,825   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz'
2025-08-31T09:31:03,830   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz'
2025-08-31T09:31:03,832   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz'
2025-08-31T09:31:03,834   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz'
2025-08-31T09:31:03,837   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz'
2025-08-31T09:31:03,839   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz'
2025-08-31T09:31:03,843   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz'
2025-08-31T09:31:03,847   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz'
2025-08-31T09:31:03,852   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz'
2025-08-31T09:31:03,856   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz'
2025-08-31T09:31:03,862   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz'
2025-08-31T09:31:03,868   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz'
2025-08-31T09:31:03,871   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz'
2025-08-31T09:31:03,873   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz'
2025-08-31T09:31:03,875   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz'
2025-08-31T09:31:03,877   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz'
2025-08-31T09:31:03,879   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz'
2025-08-31T09:31:03,882   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz'
2025-08-31T09:31:03,885   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz'
2025-08-31T09:31:03,887   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz'
2025-08-31T09:31:03,889   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz'
2025-08-31T09:31:03,891   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz'
2025-08-31T09:31:03,894   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz'
2025-08-31T09:31:03,897   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz'
2025-08-31T09:31:03,899   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz'
2025-08-31T09:31:03,902   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz'
2025-08-31T09:31:03,905   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz'
2025-08-31T09:31:03,908   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz'
2025-08-31T09:31:03,911   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz'
2025-08-31T09:31:03,914   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz'
2025-08-31T09:31:03,917   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz'
2025-08-31T09:31:03,921   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz'
2025-08-31T09:31:03,924   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz'
2025-08-31T09:31:03,929   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz'
2025-08-31T09:31:03,933   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz'
2025-08-31T09:31:03,937   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz'
2025-08-31T09:31:03,941   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz'
2025-08-31T09:31:03,945   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz'
2025-08-31T09:31:03,952   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz'
2025-08-31T09:31:03,955   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz'
2025-08-31T09:31:03,957   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz'
2025-08-31T09:31:03,959   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz'
2025-08-31T09:31:03,962   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz'
2025-08-31T09:31:03,964   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz'
2025-08-31T09:31:03,968   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz'
2025-08-31T09:31:03,971   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz'
2025-08-31T09:31:03,975   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz'
2025-08-31T09:31:03,979   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz'
2025-08-31T09:31:03,982   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz'
2025-08-31T09:31:03,987   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz'
2025-08-31T09:31:03,992   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz'
2025-08-31T09:31:03,997   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz'
2025-08-31T09:31:04,003   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz'
2025-08-31T09:31:04,012   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz'
2025-08-31T09:31:04,017   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz'
2025-08-31T09:31:04,020   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz'
2025-08-31T09:31:04,025   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz'
2025-08-31T09:31:04,028   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz'
2025-08-31T09:31:04,030   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz'
2025-08-31T09:31:04,033   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz'
2025-08-31T09:31:04,036   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz'
2025-08-31T09:31:04,038   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz'
2025-08-31T09:31:04,040   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz'
2025-08-31T09:31:04,043   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz'
2025-08-31T09:31:04,045   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz'
2025-08-31T09:31:04,048   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz'
2025-08-31T09:31:04,050   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz'
2025-08-31T09:31:04,053   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz'
2025-08-31T09:31:04,055   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz'
2025-08-31T09:31:04,057   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz'
2025-08-31T09:31:04,059   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz'
2025-08-31T09:31:04,061   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz'
2025-08-31T09:31:04,063   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz'
2025-08-31T09:31:04,066   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz'
2025-08-31T09:31:04,068   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz'
2025-08-31T09:31:04,070   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz'
2025-08-31T09:31:04,072   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz'
2025-08-31T09:31:04,074   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz'
2025-08-31T09:31:04,076   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz'
2025-08-31T09:31:04,079   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz'
2025-08-31T09:31:04,082   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz'
2025-08-31T09:31:04,084   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz'
2025-08-31T09:31:04,087   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz'
2025-08-31T09:31:04,090   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz'
2025-08-31T09:31:04,093   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz'
2025-08-31T09:31:04,096   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz'
2025-08-31T09:31:04,100   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz'
2025-08-31T09:31:04,103   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz'
2025-08-31T09:31:04,107   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz'
2025-08-31T09:31:04,112   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz'
2025-08-31T09:31:04,117   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz'
2025-08-31T09:31:04,122   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz'
2025-08-31T09:31:04,124   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz'
2025-08-31T09:31:04,127   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz'
2025-08-31T09:31:04,129   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz'
2025-08-31T09:31:04,132   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz'
2025-08-31T09:31:04,134   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz'
2025-08-31T09:31:04,137   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz'
2025-08-31T09:31:04,140   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz'
2025-08-31T09:31:04,142   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz'
2025-08-31T09:31:04,144   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz'
2025-08-31T09:31:04,146   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz'
2025-08-31T09:31:04,149   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz'
2025-08-31T09:31:04,151   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz'
2025-08-31T09:31:04,153   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz'
2025-08-31T09:31:04,155   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz'
2025-08-31T09:31:04,157   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz'
2025-08-31T09:31:04,159   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz'
2025-08-31T09:31:04,162   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz'
2025-08-31T09:31:04,163   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz'
2025-08-31T09:31:04,166   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz'
2025-08-31T09:31:04,168   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz'
2025-08-31T09:31:04,170   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz'
2025-08-31T09:31:04,174   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz'
2025-08-31T09:31:04,178   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz'
2025-08-31T09:31:04,183   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz'
2025-08-31T09:31:04,185   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz'
2025-08-31T09:31:04,187   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz'
2025-08-31T09:31:04,189   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz'
2025-08-31T09:31:04,191   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz'
2025-08-31T09:31:04,193   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz'
2025-08-31T09:31:04,195   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz'
2025-08-31T09:31:04,197   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz'
2025-08-31T09:31:04,199   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz'
2025-08-31T09:31:04,201   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz'
2025-08-31T09:31:04,203   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz'
2025-08-31T09:31:04,206   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz'
2025-08-31T09:31:04,208   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz'
2025-08-31T09:31:04,210   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz'
2025-08-31T09:31:04,212   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz'
2025-08-31T09:31:04,214   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz'
2025-08-31T09:31:04,216   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz'
2025-08-31T09:31:04,218   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz'
2025-08-31T09:31:04,220   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz'
2025-08-31T09:31:04,222   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz'
2025-08-31T09:31:04,224   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz'
2025-08-31T09:31:04,226   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz'
2025-08-31T09:31:04,228   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz'
2025-08-31T09:31:04,232   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz'
2025-08-31T09:31:04,234   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz'
2025-08-31T09:31:04,235   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz'
2025-08-31T09:31:04,237   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz'
2025-08-31T09:31:04,239   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz'
2025-08-31T09:31:04,241   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz'
2025-08-31T09:31:04,242   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz'
2025-08-31T09:31:04,244   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz'
2025-08-31T09:31:04,246   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz'
2025-08-31T09:31:04,247   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz'
2025-08-31T09:31:04,249   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz'
2025-08-31T09:31:04,252   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz'
2025-08-31T09:31:04,254   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz'
2025-08-31T09:31:04,255   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz'
2025-08-31T09:31:04,257   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz'
2025-08-31T09:31:04,258   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz'
2025-08-31T09:31:04,260   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz'
2025-08-31T09:31:04,262   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz'
2025-08-31T09:31:04,263   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz'
2025-08-31T09:31:04,265   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz'
2025-08-31T09:31:04,267   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz'
2025-08-31T09:31:04,269   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz'
2025-08-31T09:31:04,270   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz'
2025-08-31T09:31:04,272   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz'
2025-08-31T09:31:04,274   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz'
2025-08-31T09:31:04,275   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz'
2025-08-31T09:31:04,277   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz'
2025-08-31T09:31:04,279   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz'
2025-08-31T09:31:04,280   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz'
2025-08-31T09:31:04,282   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz'
2025-08-31T09:31:04,284   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz'
2025-08-31T09:31:04,285   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz'
2025-08-31T09:31:04,287   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz'
2025-08-31T09:31:04,289   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz'
2025-08-31T09:31:04,290   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz'
2025-08-31T09:31:04,292   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz'
2025-08-31T09:31:04,294   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz'
2025-08-31T09:31:04,296   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz'
2025-08-31T09:31:04,298   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz'
2025-08-31T09:31:04,299   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz'
2025-08-31T09:31:04,301   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz'
2025-08-31T09:31:04,303   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz'
2025-08-31T09:31:04,305   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz'
2025-08-31T09:31:04,307   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz'
2025-08-31T09:31:04,308   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz'
2025-08-31T09:31:04,310   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz'
2025-08-31T09:31:04,312   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz'
2025-08-31T09:31:04,314   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz'
2025-08-31T09:31:04,316   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz'
2025-08-31T09:31:04,317   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz'
2025-08-31T09:31:04,319   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz'
2025-08-31T09:31:04,321   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz'
2025-08-31T09:31:04,323   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz'
2025-08-31T09:31:04,325   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz'
2025-08-31T09:31:04,326   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz'
2025-08-31T09:31:04,328   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz'
2025-08-31T09:31:04,330   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz'
2025-08-31T09:31:04,331   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz'
2025-08-31T09:31:04,333   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz'
2025-08-31T09:31:04,335   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz'
2025-08-31T09:31:04,336   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz'
2025-08-31T09:31:04,338   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz'
2025-08-31T09:31:04,340   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz'
2025-08-31T09:31:04,341   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz'
2025-08-31T09:31:04,343   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz'
2025-08-31T09:31:04,345   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz'
2025-08-31T09:31:04,346   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz'
2025-08-31T09:31:04,348   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz'
2025-08-31T09:31:04,350   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz'
2025-08-31T09:31:04,351   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz'
2025-08-31T09:31:04,353   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz'
2025-08-31T09:31:04,354   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz'
2025-08-31T09:31:04,356   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz'
2025-08-31T09:31:04,358   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz'
2025-08-31T09:31:04,359   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz'
2025-08-31T09:31:04,361   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz'
2025-08-31T09:31:04,362   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz'
2025-08-31T09:31:04,364   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz'
2025-08-31T09:31:04,366   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz'
2025-08-31T09:31:04,367   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz'
2025-08-31T09:31:04,369   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz'
2025-08-31T09:31:04,371   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz'
2025-08-31T09:31:04,372   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz'
2025-08-31T09:31:04,374   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz'
2025-08-31T09:31:04,376   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz'
2025-08-31T09:31:04,377   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz'
2025-08-31T09:31:04,381   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz'
2025-08-31T09:31:04,383   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz'
2025-08-31T09:31:04,385   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz'
2025-08-31T09:31:04,387   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz'
2025-08-31T09:31:04,388   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz'
2025-08-31T09:31:04,390   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz'
2025-08-31T09:31:04,392   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz'
2025-08-31T09:31:04,394   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz'
2025-08-31T09:31:04,395   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz'
2025-08-31T09:31:04,397   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz'
2025-08-31T09:31:04,399   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz'
2025-08-31T09:31:04,401   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz'
2025-08-31T09:31:04,402   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz'
2025-08-31T09:31:04,404   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz'
2025-08-31T09:31:04,405   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz'
2025-08-31T09:31:04,407   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz'
2025-08-31T09:31:04,409   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz'
2025-08-31T09:31:04,410   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz'
2025-08-31T09:31:04,412   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz'
2025-08-31T09:31:04,414   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz'
2025-08-31T09:31:04,415   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz'
2025-08-31T09:31:04,417   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz'
2025-08-31T09:31:04,419   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz'
2025-08-31T09:31:04,420   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz'
2025-08-31T09:31:04,422   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz'
2025-08-31T09:31:04,424   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz'
2025-08-31T09:31:04,425   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz'
2025-08-31T09:31:04,427   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz'
2025-08-31T09:31:04,429   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz'
2025-08-31T09:31:04,430   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz'
2025-08-31T09:31:04,432   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz'
2025-08-31T09:31:04,433   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz'
2025-08-31T09:31:04,435   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz'
2025-08-31T09:31:04,437   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz'
2025-08-31T09:31:04,439   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz'
2025-08-31T09:31:04,440   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz'
2025-08-31T09:31:04,442   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz'
2025-08-31T09:31:04,444   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz'
2025-08-31T09:31:04,445   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz'
2025-08-31T09:31:04,447   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz'
2025-08-31T09:31:04,449   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz'
2025-08-31T09:31:04,451   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz'
2025-08-31T09:31:04,453   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz'
2025-08-31T09:31:04,455   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz'
2025-08-31T09:31:04,456   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz'
2025-08-31T09:31:04,458   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz'
2025-08-31T09:31:04,460   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz'
2025-08-31T09:31:04,462   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz'
2025-08-31T09:31:04,464   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz'
2025-08-31T09:31:04,466   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz'
2025-08-31T09:31:04,467   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz'
2025-08-31T09:31:04,469   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz'
2025-08-31T09:31:04,471   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz'
2025-08-31T09:31:04,473   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz'
2025-08-31T09:31:04,475   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz'
2025-08-31T09:31:04,476   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz'
2025-08-31T09:31:04,478   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz'
2025-08-31T09:31:04,480   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz'
2025-08-31T09:31:04,482   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz'
2025-08-31T09:31:04,483   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz'
2025-08-31T09:31:04,485   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz'
2025-08-31T09:31:04,486   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz'
2025-08-31T09:31:04,488   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz'
2025-08-31T09:31:04,490   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz'
2025-08-31T09:31:04,491   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz'
2025-08-31T09:31:04,493   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz'
2025-08-31T09:31:04,495   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz'
2025-08-31T09:31:04,496   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz'
2025-08-31T09:31:04,498   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz'
2025-08-31T09:31:04,500   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz'
2025-08-31T09:31:04,501   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz'
2025-08-31T09:31:04,503   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz'
2025-08-31T09:31:04,505   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz'
2025-08-31T09:31:04,506   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz'
2025-08-31T09:31:04,508   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz'
2025-08-31T09:31:04,509   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz'
2025-08-31T09:31:04,511   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz'
2025-08-31T09:31:04,513   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz'
2025-08-31T09:31:04,515   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz'
2025-08-31T09:31:04,516   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz'
2025-08-31T09:31:04,518   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz'
2025-08-31T09:31:04,519   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz'
2025-08-31T09:31:04,521   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz'
2025-08-31T09:31:04,523   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz'
2025-08-31T09:31:04,524   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz'
2025-08-31T09:31:04,526   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz'
2025-08-31T09:31:04,528   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz'
2025-08-31T09:31:04,530   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz'
2025-08-31T09:31:04,531   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz'
2025-08-31T09:31:04,533   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz'
2025-08-31T09:31:04,535   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz'
2025-08-31T09:31:04,537   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz'
2025-08-31T09:31:04,538   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz'
2025-08-31T09:31:04,540   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz'
2025-08-31T09:31:04,542   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz'
2025-08-31T09:31:04,544   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz'
2025-08-31T09:31:04,546   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz'
2025-08-31T09:31:04,548   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz'
2025-08-31T09:31:04,549   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz'
2025-08-31T09:31:04,551   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz'
2025-08-31T09:31:04,553   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz'
2025-08-31T09:31:04,555   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz'
2025-08-31T09:31:04,557   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz'
2025-08-31T09:31:04,559   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz'
2025-08-31T09:31:04,560   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz'
2025-08-31T09:31:04,562   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz'
2025-08-31T09:31:04,565   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz'
2025-08-31T09:31:04,567   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz'
2025-08-31T09:31:04,568   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz'
2025-08-31T09:31:04,570   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz'
2025-08-31T09:31:04,572   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz'
2025-08-31T09:31:04,574   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz'
2025-08-31T09:31:04,575   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz'
2025-08-31T09:31:04,577   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz'
2025-08-31T09:31:04,579   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz'
2025-08-31T09:31:04,581   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz'
2025-08-31T09:31:04,582   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz'
2025-08-31T09:31:04,584   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz'
2025-08-31T09:31:04,586   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz'
2025-08-31T09:31:04,588   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz'
2025-08-31T09:31:04,589   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz'
2025-08-31T09:31:04,591   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz'
2025-08-31T09:31:04,593   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz'
2025-08-31T09:31:04,594   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz'
2025-08-31T09:31:04,596   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz'
2025-08-31T09:31:04,597   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz'
2025-08-31T09:31:04,599   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz'
2025-08-31T09:31:04,601   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz'
2025-08-31T09:31:04,602   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz'
2025-08-31T09:31:04,604   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz'
2025-08-31T09:31:04,606   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz'
2025-08-31T09:31:04,607   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz'
2025-08-31T09:31:04,609   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz'
2025-08-31T09:31:04,610   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz'
2025-08-31T09:31:04,612   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz'
2025-08-31T09:31:04,614   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz'
2025-08-31T09:31:04,615   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz'
2025-08-31T09:31:04,617   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz'
2025-08-31T09:31:04,619   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz'
2025-08-31T09:31:04,621   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz'
2025-08-31T09:31:04,623   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz'
2025-08-31T09:31:04,624   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz'
2025-08-31T09:31:04,626   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz'
2025-08-31T09:31:04,628   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz'
2025-08-31T09:31:04,630   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz'
2025-08-31T09:31:04,632   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz'
2025-08-31T09:31:04,633   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz'
2025-08-31T09:31:04,635   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz'
2025-08-31T09:31:04,637   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz'
2025-08-31T09:31:04,639   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz'
2025-08-31T09:31:04,640   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz'
2025-08-31T09:31:04,642   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz'
2025-08-31T09:31:04,644   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz'
2025-08-31T09:31:04,645   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz'
2025-08-31T09:31:04,647   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz'
2025-08-31T09:31:04,649   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz'
2025-08-31T09:31:04,651   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz'
2025-08-31T09:31:04,653   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz'
2025-08-31T09:31:04,654   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz'
2025-08-31T09:31:04,656   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz'
2025-08-31T09:31:04,658   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz'
2025-08-31T09:31:04,659   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz'
2025-08-31T09:31:04,661   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz'
2025-08-31T09:31:04,663   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz'
2025-08-31T09:31:04,664   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz'
2025-08-31T09:31:04,666   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz'
2025-08-31T09:31:04,668   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz'
2025-08-31T09:31:04,670   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz'
2025-08-31T09:31:04,672   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz'
2025-08-31T09:31:04,674   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz'
2025-08-31T09:31:04,675   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz'
2025-08-31T09:31:04,677   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz'
2025-08-31T09:31:04,679   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz'
2025-08-31T09:31:04,681   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz'
2025-08-31T09:31:04,682   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz'
2025-08-31T09:31:04,684   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz'
2025-08-31T09:31:04,686   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz'
2025-08-31T09:31:04,688   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz'
2025-08-31T09:31:04,690   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz'
2025-08-31T09:31:04,691   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz'
2025-08-31T09:31:04,693   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz'
2025-08-31T09:31:04,695   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz'
2025-08-31T09:31:04,697   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz'
2025-08-31T09:31:04,698   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz'
2025-08-31T09:31:04,700   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz'
2025-08-31T09:31:04,702   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz'
2025-08-31T09:31:04,704   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz'
2025-08-31T09:31:04,706   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz'
2025-08-31T09:31:04,707   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz'
2025-08-31T09:31:04,709   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz'
2025-08-31T09:31:04,711   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz'
2025-08-31T09:31:04,712   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz'
2025-08-31T09:31:04,714   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz'
2025-08-31T09:31:04,715   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz'
2025-08-31T09:31:04,717   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz'
2025-08-31T09:31:04,718   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz'
2025-08-31T09:31:04,720   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz'
2025-08-31T09:31:04,722   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz'
2025-08-31T09:31:04,723   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz'
2025-08-31T09:31:04,725   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz'
2025-08-31T09:31:04,727   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz'
2025-08-31T09:31:04,728   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz'
2025-08-31T09:31:04,730   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz'
2025-08-31T09:31:04,732   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz'
2025-08-31T09:31:04,733   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz'
2025-08-31T09:31:04,735   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz'
2025-08-31T09:31:04,737   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz'
2025-08-31T09:31:04,739   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz'
2025-08-31T09:31:04,741   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz'
2025-08-31T09:31:04,743   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz'
2025-08-31T09:31:04,744   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz'
2025-08-31T09:31:04,746   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz'
2025-08-31T09:31:04,748   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz'
2025-08-31T09:31:04,750   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz'
2025-08-31T09:31:04,752   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz'
2025-08-31T09:31:04,753   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz'
2025-08-31T09:31:04,755   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz'
2025-08-31T09:31:04,757   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz'
2025-08-31T09:31:04,759   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz'
2025-08-31T09:31:04,760   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz'
2025-08-31T09:31:04,762   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz'
2025-08-31T09:31:04,764   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz'
2025-08-31T09:31:04,766   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz'
2025-08-31T09:31:04,768   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz'
2025-08-31T09:31:04,770   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz'
2025-08-31T09:31:04,771   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz'
2025-08-31T09:31:04,773   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz'
2025-08-31T09:31:04,775   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz'
2025-08-31T09:31:04,777   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz'
2025-08-31T09:31:04,779   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz'
2025-08-31T09:31:04,781   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz'
2025-08-31T09:31:04,783   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz'
2025-08-31T09:31:04,785   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz'
2025-08-31T09:31:04,786   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz'
2025-08-31T09:31:04,788   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz'
2025-08-31T09:31:04,790   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz'
2025-08-31T09:31:04,792   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz'
2025-08-31T09:31:04,794   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz'
2025-08-31T09:31:04,795   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz'
2025-08-31T09:31:04,797   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz'
2025-08-31T09:31:04,799   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz'
2025-08-31T09:31:04,800   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz'
2025-08-31T09:31:04,802   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz'
2025-08-31T09:31:04,804   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz'
2025-08-31T09:31:04,806   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz'
2025-08-31T09:31:04,809   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz'
2025-08-31T09:31:04,810   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz'
2025-08-31T09:31:04,812   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz'
2025-08-31T09:31:04,814   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz'
2025-08-31T09:31:04,815   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz'
2025-08-31T09:31:04,817   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz'
2025-08-31T09:31:04,819   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz'
2025-08-31T09:31:04,820   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz'
2025-08-31T09:31:04,822   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz'
2025-08-31T09:31:04,824   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz'
2025-08-31T09:31:04,826   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz'
2025-08-31T09:31:04,828   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz'
2025-08-31T09:31:04,829   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz'
2025-08-31T09:31:04,831   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz'
2025-08-31T09:31:04,833   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz'
2025-08-31T09:31:04,834   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz'
2025-08-31T09:31:04,836   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz'
2025-08-31T09:31:04,838   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz'
2025-08-31T09:31:04,839   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz'
2025-08-31T09:31:04,841   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz'
2025-08-31T09:31:04,843   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz'
2025-08-31T09:31:04,845   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz'
2025-08-31T09:31:04,846   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz'
2025-08-31T09:31:04,848   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz'
2025-08-31T09:31:04,850   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz'
2025-08-31T09:31:04,852   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz'
2025-08-31T09:31:04,854   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz'
2025-08-31T09:31:04,855   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz'
2025-08-31T09:31:04,857   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz'
2025-08-31T09:31:04,859   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz'
2025-08-31T09:31:04,861   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz'
2025-08-31T09:31:04,863   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz'
2025-08-31T09:31:04,865   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz'
2025-08-31T09:31:04,868   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz'
2025-08-31T09:31:04,870   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz'
2025-08-31T09:31:04,872   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz'
2025-08-31T09:31:04,873   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz'
2025-08-31T09:31:04,875   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz'
2025-08-31T09:31:04,877   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz'
2025-08-31T09:31:04,879   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz'
2025-08-31T09:31:04,880   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz'
2025-08-31T09:31:04,882   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz'
2025-08-31T09:31:04,884   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz'
2025-08-31T09:31:04,886   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz'
2025-08-31T09:31:04,887   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz'
2025-08-31T09:31:04,889   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz'
2025-08-31T09:31:04,891   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz'
2025-08-31T09:31:04,892   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz'
2025-08-31T09:31:04,894   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz'
2025-08-31T09:31:04,896   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz'
2025-08-31T09:31:04,898   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz'
2025-08-31T09:31:04,900   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz'
2025-08-31T09:31:04,901   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz'
2025-08-31T09:31:04,903   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz'
2025-08-31T09:31:04,904   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz'
2025-08-31T09:31:04,906   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz'
2025-08-31T09:31:04,908   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz'
2025-08-31T09:31:04,909   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz'
2025-08-31T09:31:04,911   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz'
2025-08-31T09:31:04,913   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz'
2025-08-31T09:31:04,914   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz'
2025-08-31T09:31:04,916   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz'
2025-08-31T09:31:04,917   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz'
2025-08-31T09:31:04,919   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz'
2025-08-31T09:31:04,921   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz'
2025-08-31T09:31:04,923   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz'
2025-08-31T09:31:04,925   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz'
2025-08-31T09:31:04,927   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz'
2025-08-31T09:31:04,929   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz'
2025-08-31T09:31:04,932   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz'
2025-08-31T09:31:04,934   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz'
2025-08-31T09:31:04,937   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz'
2025-08-31T09:31:04,941   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz'
2025-08-31T09:31:04,944   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz'
2025-08-31T09:31:04,948   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz'
2025-08-31T09:31:04,952   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz'
2025-08-31T09:31:04,954   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz'
2025-08-31T09:31:04,956   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz'
2025-08-31T09:31:04,957   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz'
2025-08-31T09:31:04,959   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz'
2025-08-31T09:31:04,961   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz'
2025-08-31T09:31:04,963   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz'
2025-08-31T09:31:04,965   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz'
2025-08-31T09:31:04,967   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz'
2025-08-31T09:31:04,968   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz'
2025-08-31T09:31:04,970   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz'
2025-08-31T09:31:04,972   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz'
2025-08-31T09:31:04,974   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz'
2025-08-31T09:31:04,975   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz'
2025-08-31T09:31:04,977   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz'
2025-08-31T09:31:04,979   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz'
2025-08-31T09:31:04,981   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz'
2025-08-31T09:31:04,982   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz'
2025-08-31T09:31:04,984   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz'
2025-08-31T09:31:04,986   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz'
2025-08-31T09:31:04,987   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz'
2025-08-31T09:31:04,989   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz'
2025-08-31T09:31:04,990   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz'
2025-08-31T09:31:04,992   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz'
2025-08-31T09:31:04,994   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz'
2025-08-31T09:31:04,995   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz'
2025-08-31T09:31:04,997   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz'
2025-08-31T09:31:04,998   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz'
2025-08-31T09:31:05,000   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz'
2025-08-31T09:31:05,002   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz'
2025-08-31T09:31:05,003   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz'
2025-08-31T09:31:05,005   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz'
2025-08-31T09:31:05,006   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz'
2025-08-31T09:31:05,008   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz'
2025-08-31T09:31:05,010   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz'
2025-08-31T09:31:05,011   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz'
2025-08-31T09:31:05,014   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz'
2025-08-31T09:31:05,016   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz'
2025-08-31T09:31:05,018   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz'
2025-08-31T09:31:05,020   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz'
2025-08-31T09:31:05,021   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz'
2025-08-31T09:31:05,023   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz'
2025-08-31T09:31:05,025   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz'
2025-08-31T09:31:05,027   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz'
2025-08-31T09:31:05,029   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz'
2025-08-31T09:31:05,031   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz'
2025-08-31T09:31:05,033   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz'
2025-08-31T09:31:05,035   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz'
2025-08-31T09:31:05,037   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz'
2025-08-31T09:31:05,039   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz'
2025-08-31T09:31:05,041   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz'
2025-08-31T09:31:05,043   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz'
2025-08-31T09:31:05,044   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz'
2025-08-31T09:31:05,046   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz'
2025-08-31T09:31:05,048   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz'
2025-08-31T09:31:05,050   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz'
2025-08-31T09:31:05,052   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz'
2025-08-31T09:31:05,053   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz'
2025-08-31T09:31:05,055   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz'
2025-08-31T09:31:05,057   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz'
2025-08-31T09:31:05,059   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz'
2025-08-31T09:31:05,060   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz'
2025-08-31T09:31:05,062   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz'
2025-08-31T09:31:05,064   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz'
2025-08-31T09:31:05,066   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz'
2025-08-31T09:31:05,067   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz'
2025-08-31T09:31:05,069   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz'
2025-08-31T09:31:05,071   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz'
2025-08-31T09:31:05,072   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz'
2025-08-31T09:31:05,074   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz'
2025-08-31T09:31:05,076   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz'
2025-08-31T09:31:05,077   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz'
2025-08-31T09:31:05,079   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz'
2025-08-31T09:31:05,081   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz'
2025-08-31T09:31:05,083   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz'
2025-08-31T09:31:05,084   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz'
2025-08-31T09:31:05,086   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz'
2025-08-31T09:31:05,088   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz'
2025-08-31T09:31:05,089   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz'
2025-08-31T09:31:05,091   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz'
2025-08-31T09:31:05,093   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz'
2025-08-31T09:31:05,094   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz'
2025-08-31T09:31:05,096   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz'
2025-08-31T09:31:05,098   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz'
2025-08-31T09:31:05,100   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz'
2025-08-31T09:31:05,102   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz'
2025-08-31T09:31:05,103   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz'
2025-08-31T09:31:05,105   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz'
2025-08-31T09:31:05,107   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz'
2025-08-31T09:31:05,109   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz'
2025-08-31T09:31:05,112   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz'
2025-08-31T09:31:05,114   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz'
2025-08-31T09:31:05,116   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz'
2025-08-31T09:31:05,117   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz'
2025-08-31T09:31:05,119   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz'
2025-08-31T09:31:05,121   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz'
2025-08-31T09:31:05,123   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz'
2025-08-31T09:31:05,125   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz'
2025-08-31T09:31:05,127   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz'
2025-08-31T09:31:05,129   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz'
2025-08-31T09:31:05,131   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz'
2025-08-31T09:31:05,133   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz'
2025-08-31T09:31:05,135   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz'
2025-08-31T09:31:05,137   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz'
2025-08-31T09:31:05,138   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz'
2025-08-31T09:31:05,140   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz'
2025-08-31T09:31:05,142   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz'
2025-08-31T09:31:05,144   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz'
2025-08-31T09:31:05,145   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz'
2025-08-31T09:31:05,147   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz'
2025-08-31T09:31:05,149   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz'
2025-08-31T09:31:05,151   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz'
2025-08-31T09:31:05,153   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz'
2025-08-31T09:31:05,155   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz'
2025-08-31T09:31:05,157   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz'
2025-08-31T09:31:05,159   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz'
2025-08-31T09:31:05,161   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz'
2025-08-31T09:31:05,163   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz'
2025-08-31T09:31:05,164   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz'
2025-08-31T09:31:05,166   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz'
2025-08-31T09:31:05,168   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz'
2025-08-31T09:31:05,170   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz'
2025-08-31T09:31:05,172   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz'
2025-08-31T09:31:05,174   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz'
2025-08-31T09:31:05,176   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz'
2025-08-31T09:31:05,178   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz'
2025-08-31T09:31:05,180   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz'
2025-08-31T09:31:05,182   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz'
2025-08-31T09:31:05,184   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz'
2025-08-31T09:31:05,186   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz'
2025-08-31T09:31:05,188   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz'
2025-08-31T09:31:05,190   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz'
2025-08-31T09:31:05,192   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz'
2025-08-31T09:31:05,194   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz'
2025-08-31T09:31:05,196   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz'
2025-08-31T09:31:05,198   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz'
2025-08-31T09:31:05,200   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz'
2025-08-31T09:31:05,203   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz'
2025-08-31T09:31:05,205   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz'
2025-08-31T09:31:05,207   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz'
2025-08-31T09:31:05,210   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz'
2025-08-31T09:31:05,213   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz'
2025-08-31T09:31:05,217   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz'
2025-08-31T09:31:05,220   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz'
2025-08-31T09:31:05,223   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz'
2025-08-31T09:31:05,227   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz'
2025-08-31T09:31:05,230   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz'
2025-08-31T09:31:05,234   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz'
2025-08-31T09:31:05,237   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz'
2025-08-31T09:31:05,241   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz'
2025-08-31T09:31:05,245   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz'
2025-08-31T09:31:05,249   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz'
2025-08-31T09:31:05,251   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz'
2025-08-31T09:31:05,254   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz'
2025-08-31T09:31:05,256   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz'
2025-08-31T09:31:05,258   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz'
2025-08-31T09:31:05,261   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz'
2025-08-31T09:31:05,263   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz'
2025-08-31T09:31:05,266   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz'
2025-08-31T09:31:05,268   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz'
2025-08-31T09:31:05,270   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz'
2025-08-31T09:31:05,273   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz'
2025-08-31T09:31:05,277   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz'
2025-08-31T09:31:05,279   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz'
2025-08-31T09:31:05,281   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz'
2025-08-31T09:31:05,284   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz'
2025-08-31T09:31:05,286   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz'
2025-08-31T09:31:05,288   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz'
2025-08-31T09:31:05,291   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz'
2025-08-31T09:31:05,293   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz'
2025-08-31T09:31:05,295   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz'
2025-08-31T09:31:05,297   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz'
2025-08-31T09:31:05,300   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz'
2025-08-31T09:31:05,302   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz'
2025-08-31T09:31:05,304   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz'
2025-08-31T09:31:05,307   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz'
2025-08-31T09:31:05,309   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz'
2025-08-31T09:31:05,311   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz'
2025-08-31T09:31:05,313   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz'
2025-08-31T09:31:05,315   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz'
2025-08-31T09:31:05,317   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz'
2025-08-31T09:31:05,320   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz'
2025-08-31T09:31:05,322   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz'
2025-08-31T09:31:05,324   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz'
2025-08-31T09:31:05,326   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz'
2025-08-31T09:31:05,328   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz'
2025-08-31T09:31:05,331   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz'
2025-08-31T09:31:05,333   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz'
2025-08-31T09:31:05,335   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz'
2025-08-31T09:31:05,337   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz'
2025-08-31T09:31:05,339   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz'
2025-08-31T09:31:05,342   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz'
2025-08-31T09:31:05,344   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz'
2025-08-31T09:31:05,346   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz'
2025-08-31T09:31:05,348   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz'
2025-08-31T09:31:05,350   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz'
2025-08-31T09:31:05,352   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz'
2025-08-31T09:31:05,355   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz'
2025-08-31T09:31:05,357   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz'
2025-08-31T09:31:05,359   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz'
2025-08-31T09:31:05,361   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz'
2025-08-31T09:31:05,363   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz'
2025-08-31T09:31:05,365   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz'
2025-08-31T09:31:05,368   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz'
2025-08-31T09:31:05,370   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz'
2025-08-31T09:31:05,372   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz'
2025-08-31T09:31:05,374   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz'
2025-08-31T09:31:05,376   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz'
2025-08-31T09:31:05,378   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz'
2025-08-31T09:31:05,380   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz'
2025-08-31T09:31:05,382   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz'
2025-08-31T09:31:05,384   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz'
2025-08-31T09:31:05,386   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz'
2025-08-31T09:31:05,389   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz'
2025-08-31T09:31:05,391   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz'
2025-08-31T09:31:05,393   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz'
2025-08-31T09:31:05,395   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz'
2025-08-31T09:31:05,397   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz'
2025-08-31T09:31:05,399   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz'
2025-08-31T09:31:05,401   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz'
2025-08-31T09:31:05,403   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz'
2025-08-31T09:31:05,404   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz'
2025-08-31T09:31:05,406   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz'
2025-08-31T09:31:05,408   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz'
2025-08-31T09:31:05,410   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz'
2025-08-31T09:31:05,412   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz'
2025-08-31T09:31:05,414   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz'
2025-08-31T09:31:05,416   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz'
2025-08-31T09:31:05,418   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz'
2025-08-31T09:31:05,420   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz'
2025-08-31T09:31:05,422   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz'
2025-08-31T09:31:05,424   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz'
2025-08-31T09:31:05,426   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz'
2025-08-31T09:31:05,428   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz'
2025-08-31T09:31:05,430   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz'
2025-08-31T09:31:05,432   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz'
2025-08-31T09:31:05,434   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz'
2025-08-31T09:31:05,435   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz'
2025-08-31T09:31:05,437   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz'
2025-08-31T09:31:05,439   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz'
2025-08-31T09:31:05,441   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz'
2025-08-31T09:31:05,443   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz'
2025-08-31T09:31:05,445   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz'
2025-08-31T09:31:05,447   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz'
2025-08-31T09:31:05,448   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz'
2025-08-31T09:31:05,450   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz'
2025-08-31T09:31:05,452   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz'
2025-08-31T09:31:05,454   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz'
2025-08-31T09:31:05,456   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz'
2025-08-31T09:31:05,459   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz'
2025-08-31T09:31:05,461   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz'
2025-08-31T09:31:05,462   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz'
2025-08-31T09:31:05,464   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz'
2025-08-31T09:31:05,465   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz'
2025-08-31T09:31:05,467   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz'
2025-08-31T09:31:05,469   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz'
2025-08-31T09:31:05,470   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz'
2025-08-31T09:31:05,472   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz'
2025-08-31T09:31:05,474   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz'
2025-08-31T09:31:05,475   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz'
2025-08-31T09:31:05,477   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz'
2025-08-31T09:31:05,478   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz'
2025-08-31T09:31:05,480   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz'
2025-08-31T09:31:05,482   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz'
2025-08-31T09:31:05,483   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz'
2025-08-31T09:31:05,485   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz'
2025-08-31T09:31:05,487   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz'
2025-08-31T09:31:05,489   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz'
2025-08-31T09:31:05,490   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz'
2025-08-31T09:31:05,492   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz'
2025-08-31T09:31:05,494   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz'
2025-08-31T09:31:05,496   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz'
2025-08-31T09:31:05,497   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz'
2025-08-31T09:31:05,499   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz'
2025-08-31T09:31:05,501   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz'
2025-08-31T09:31:05,502   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz'
2025-08-31T09:31:05,504   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz'
2025-08-31T09:31:05,506   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz'
2025-08-31T09:31:05,508   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz'
2025-08-31T09:31:05,509   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz'
2025-08-31T09:31:05,511   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz'
2025-08-31T09:31:05,513   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz'
2025-08-31T09:31:05,514   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz'
2025-08-31T09:31:05,516   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz'
2025-08-31T09:31:05,518   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz'
2025-08-31T09:31:05,519   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz'
2025-08-31T09:31:05,521   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz'
2025-08-31T09:31:05,523   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz'
2025-08-31T09:31:05,524   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz'
2025-08-31T09:31:05,526   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz'
2025-08-31T09:31:05,528   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz'
2025-08-31T09:31:05,530   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz'
2025-08-31T09:31:05,531   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz'
2025-08-31T09:31:05,533   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz'
2025-08-31T09:31:05,534   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz'
2025-08-31T09:31:05,536   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz'
2025-08-31T09:31:05,538   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz'
2025-08-31T09:31:05,540   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz'
2025-08-31T09:31:05,541   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz'
2025-08-31T09:31:05,545   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz'
2025-08-31T09:31:05,546   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz'
2025-08-31T09:31:05,548   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz'
2025-08-31T09:31:05,549   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz'
2025-08-31T09:31:05,551   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz'
2025-08-31T09:31:05,553   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz'
2025-08-31T09:31:05,554   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz'
2025-08-31T09:31:05,556   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz'
2025-08-31T09:31:05,557   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz'
2025-08-31T09:31:05,559   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz'
2025-08-31T09:31:05,561   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz'
2025-08-31T09:31:05,562   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz'
2025-08-31T09:31:05,564   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz'
2025-08-31T09:31:05,566   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz'
2025-08-31T09:31:05,568   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz'
2025-08-31T09:31:05,569   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz'
2025-08-31T09:31:05,571   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz'
2025-08-31T09:31:05,573   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz'
2025-08-31T09:31:05,575   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz'
2025-08-31T09:31:05,576   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz'
2025-08-31T09:31:05,578   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz'
2025-08-31T09:31:05,580   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz'
2025-08-31T09:31:05,582   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz'
2025-08-31T09:31:05,584   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz'
2025-08-31T09:31:05,586   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz'
2025-08-31T09:31:05,588   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz'
2025-08-31T09:31:05,589   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz'
2025-08-31T09:31:05,591   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz'
2025-08-31T09:31:05,593   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz'
2025-08-31T09:31:05,595   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz'
2025-08-31T09:31:05,596   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz'
2025-08-31T09:31:05,598   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz'
2025-08-31T09:31:05,600   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz'
2025-08-31T09:31:05,601   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz'
2025-08-31T09:31:05,603   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz'
2025-08-31T09:31:05,605   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz'
2025-08-31T09:31:05,606   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz'
2025-08-31T09:31:05,608   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz'
2025-08-31T09:31:05,610   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz'
2025-08-31T09:31:05,611   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz'
2025-08-31T09:31:05,613   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz'
2025-08-31T09:31:05,615   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz'
2025-08-31T09:31:05,616   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz'
2025-08-31T09:31:05,618   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz'
2025-08-31T09:31:05,619   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz'
2025-08-31T09:31:05,621   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz'
2025-08-31T09:31:05,623   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz'
2025-08-31T09:31:05,624   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz'
2025-08-31T09:31:05,626   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz'
2025-08-31T09:31:05,628   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz'
2025-08-31T09:31:05,629   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz'
2025-08-31T09:31:05,631   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz'
2025-08-31T09:31:05,632   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz'
2025-08-31T09:31:05,634   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz'
2025-08-31T09:31:05,635   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz'
2025-08-31T09:31:05,637   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz'
2025-08-31T09:31:05,639   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz'
2025-08-31T09:31:05,640   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz'
2025-08-31T09:31:05,642   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz'
2025-08-31T09:31:05,644   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz'
2025-08-31T09:31:05,646   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz'
2025-08-31T09:31:05,647   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz'
2025-08-31T09:31:05,649   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz'
2025-08-31T09:31:05,651   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz'
2025-08-31T09:31:05,652   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz'
2025-08-31T09:31:05,654   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz'
2025-08-31T09:31:05,656   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz'
2025-08-31T09:31:05,658   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz'
2025-08-31T09:31:05,659   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz'
2025-08-31T09:31:05,661   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz'
2025-08-31T09:31:05,663   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz'
2025-08-31T09:31:05,666   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz'
2025-08-31T09:31:05,667   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz'
2025-08-31T09:31:05,669   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz'
2025-08-31T09:31:05,671   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz'
2025-08-31T09:31:05,673   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz'
2025-08-31T09:31:05,674   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz'
2025-08-31T09:31:05,676   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz'
2025-08-31T09:31:05,678   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz'
2025-08-31T09:31:05,680   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz'
2025-08-31T09:31:05,681   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz'
2025-08-31T09:31:05,683   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz'
2025-08-31T09:31:05,685   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz'
2025-08-31T09:31:05,686   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz'
2025-08-31T09:31:05,688   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz'
2025-08-31T09:31:05,690   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz'
2025-08-31T09:31:05,692   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz'
2025-08-31T09:31:05,693   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz'
2025-08-31T09:31:05,695   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz'
2025-08-31T09:31:05,696   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz'
2025-08-31T09:31:05,698   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz'
2025-08-31T09:31:05,700   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz'
2025-08-31T09:31:05,701   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz'
2025-08-31T09:31:05,703   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz'
2025-08-31T09:31:05,705   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz'
2025-08-31T09:31:05,706   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz'
2025-08-31T09:31:05,708   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz'
2025-08-31T09:31:05,710   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz'
2025-08-31T09:31:05,711   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz'
2025-08-31T09:31:05,713   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz'
2025-08-31T09:31:05,714   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz'
2025-08-31T09:31:05,716   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz'
2025-08-31T09:31:05,718   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz'
2025-08-31T09:31:05,719   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz'
2025-08-31T09:31:05,721   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz'
2025-08-31T09:31:05,723   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz'
2025-08-31T09:31:05,724   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz'
2025-08-31T09:31:05,726   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz'
2025-08-31T09:31:05,728   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz'
2025-08-31T09:31:05,729   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz'
2025-08-31T09:31:05,731   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz'
2025-08-31T09:31:05,733   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz'
2025-08-31T09:31:05,734   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz'
2025-08-31T09:31:05,736   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz'
2025-08-31T09:31:05,738   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz'
2025-08-31T09:31:05,740   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz'
2025-08-31T09:31:05,742   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz'
2025-08-31T09:31:05,743   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz'
2025-08-31T09:31:05,748   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz'
2025-08-31T09:31:05,749   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz'
2025-08-31T09:31:05,751   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz'
2025-08-31T09:31:05,753   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz'
2025-08-31T09:31:05,755   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz'
2025-08-31T09:31:05,757   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz'
2025-08-31T09:31:05,759   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz'
2025-08-31T09:31:05,760   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz'
2025-08-31T09:31:05,762   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz'
2025-08-31T09:31:05,764   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz'
2025-08-31T09:31:05,766   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz'
2025-08-31T09:31:05,767   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz'
2025-08-31T09:31:05,769   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz'
2025-08-31T09:31:05,771   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz'
2025-08-31T09:31:05,773   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz'
2025-08-31T09:31:05,775   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz'
2025-08-31T09:31:05,776   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz'
2025-08-31T09:31:05,778   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz'
2025-08-31T09:31:05,780   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz'
2025-08-31T09:31:05,781   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz'
2025-08-31T09:31:05,783   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz'
2025-08-31T09:31:05,785   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz'
2025-08-31T09:31:05,786   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz'
2025-08-31T09:31:05,788   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz'
2025-08-31T09:31:05,790   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz'
2025-08-31T09:31:05,791   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz'
2025-08-31T09:31:05,793   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz'
2025-08-31T09:31:05,795   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz'
2025-08-31T09:31:05,796   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz'
2025-08-31T09:31:05,798   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz'
2025-08-31T09:31:05,800   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz'
2025-08-31T09:31:05,802   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz'
2025-08-31T09:31:05,803   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz'
2025-08-31T09:31:05,805   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz'
2025-08-31T09:31:05,807   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz'
2025-08-31T09:31:05,809   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz'
2025-08-31T09:31:05,810   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz'
2025-08-31T09:31:05,812   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz'
2025-08-31T09:31:05,814   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz'
2025-08-31T09:31:05,816   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz'
2025-08-31T09:31:05,818   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz'
2025-08-31T09:31:05,820   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz'
2025-08-31T09:31:05,821   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz'
2025-08-31T09:31:05,823   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz'
2025-08-31T09:31:05,825   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz'
2025-08-31T09:31:05,827   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz'
2025-08-31T09:31:05,828   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz'
2025-08-31T09:31:05,830   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz'
2025-08-31T09:31:05,831   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz'
2025-08-31T09:31:05,833   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz'
2025-08-31T09:31:05,835   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz'
2025-08-31T09:31:05,837   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz'
2025-08-31T09:31:05,838   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz'
2025-08-31T09:31:05,840   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz'
2025-08-31T09:31:05,842   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz'
2025-08-31T09:31:05,843   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz'
2025-08-31T09:31:05,845   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz'
2025-08-31T09:31:05,847   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz'
2025-08-31T09:31:05,848   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz'
2025-08-31T09:31:05,850   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz'
2025-08-31T09:31:05,852   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz'
2025-08-31T09:31:05,854   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz'
2025-08-31T09:31:05,856   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz'
2025-08-31T09:31:05,858   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz'
2025-08-31T09:31:05,860   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz'
2025-08-31T09:31:05,863   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz'
2025-08-31T09:31:05,866   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz'
2025-08-31T09:31:05,867   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz'
2025-08-31T09:31:05,869   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz'
2025-08-31T09:31:05,871   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz'
2025-08-31T09:31:05,872   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz'
2025-08-31T09:31:05,874   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz'
2025-08-31T09:31:05,876   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz'
2025-08-31T09:31:05,878   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz'
2025-08-31T09:31:05,880   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz'
2025-08-31T09:31:05,881   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz'
2025-08-31T09:31:05,883   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz'
2025-08-31T09:31:05,885   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz'
2025-08-31T09:31:05,887   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz'
2025-08-31T09:31:05,889   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz'
2025-08-31T09:31:05,891   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz'
2025-08-31T09:31:05,893   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz'
2025-08-31T09:31:05,894   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz'
2025-08-31T09:31:05,896   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz'
2025-08-31T09:31:05,898   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz'
2025-08-31T09:31:05,900   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz'
2025-08-31T09:31:05,902   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz'
2025-08-31T09:31:05,903   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz'
2025-08-31T09:31:05,905   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz'
2025-08-31T09:31:05,907   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz'
2025-08-31T09:31:05,909   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz'
2025-08-31T09:31:05,911   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz'
2025-08-31T09:31:05,913   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz'
2025-08-31T09:31:05,914   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz'
2025-08-31T09:31:05,916   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz'
2025-08-31T09:31:05,918   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz'
2025-08-31T09:31:05,919   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz'
2025-08-31T09:31:05,921   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz'
2025-08-31T09:31:05,923   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz'
2025-08-31T09:31:05,925   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz'
2025-08-31T09:31:05,926   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz'
2025-08-31T09:31:05,928   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz'
2025-08-31T09:31:05,930   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz'
2025-08-31T09:31:05,932   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz'
2025-08-31T09:31:05,933   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz'
2025-08-31T09:31:05,936   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz'
2025-08-31T09:31:05,938   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz'
2025-08-31T09:31:05,939   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz'
2025-08-31T09:31:05,941   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz'
2025-08-31T09:31:05,943   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz'
2025-08-31T09:31:05,945   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz'
2025-08-31T09:31:05,946   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz'
2025-08-31T09:31:05,948   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz'
2025-08-31T09:31:05,950   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz'
2025-08-31T09:31:05,951   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz'
2025-08-31T09:31:05,953   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz'
2025-08-31T09:31:05,955   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz'
2025-08-31T09:31:05,956   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz'
2025-08-31T09:31:05,958   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz'
2025-08-31T09:31:05,960   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz'
2025-08-31T09:31:05,962   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz'
2025-08-31T09:31:05,964   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz'
2025-08-31T09:31:05,965   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz'
2025-08-31T09:31:05,967   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz'
2025-08-31T09:31:05,969   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz'
2025-08-31T09:31:05,971   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz'
2025-08-31T09:31:05,973   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz'
2025-08-31T09:31:05,975   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz'
2025-08-31T09:31:05,976   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz'
2025-08-31T09:31:05,979   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz'
2025-08-31T09:31:05,981   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz'
2025-08-31T09:31:05,982   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz'
2025-08-31T09:31:05,984   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz'
2025-08-31T09:31:05,986   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz'
2025-08-31T09:31:05,988   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz'
2025-08-31T09:31:05,990   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz'
2025-08-31T09:31:05,991   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz'
2025-08-31T09:31:05,993   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz'
2025-08-31T09:31:05,995   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz'
2025-08-31T09:31:05,996   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz'
2025-08-31T09:31:05,998   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz'
2025-08-31T09:31:06,000   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz'
2025-08-31T09:31:06,001   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz'
2025-08-31T09:31:06,004   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz'
2025-08-31T09:31:06,005   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz'
2025-08-31T09:31:06,007   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz'
2025-08-31T09:31:06,008   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz'
2025-08-31T09:31:06,010   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz'
2025-08-31T09:31:06,012   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz'
2025-08-31T09:31:06,013   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz'
2025-08-31T09:31:06,015   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz'
2025-08-31T09:31:06,017   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz'
2025-08-31T09:31:06,018   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz'
2025-08-31T09:31:06,020   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz'
2025-08-31T09:31:06,022   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz'
2025-08-31T09:31:06,024   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz'
2025-08-31T09:31:06,025   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz'
2025-08-31T09:31:06,027   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz'
2025-08-31T09:31:06,029   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz'
2025-08-31T09:31:06,030   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz'
2025-08-31T09:31:06,032   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz'
2025-08-31T09:31:06,034   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz'
2025-08-31T09:31:06,035   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz'
2025-08-31T09:31:06,037   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz'
2025-08-31T09:31:06,039   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz'
2025-08-31T09:31:06,042   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz'
2025-08-31T09:31:06,044   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz'
2025-08-31T09:31:06,045   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz'
2025-08-31T09:31:06,047   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz'
2025-08-31T09:31:06,049   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz'
2025-08-31T09:31:06,051   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz'
2025-08-31T09:31:06,053   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz'
2025-08-31T09:31:06,055   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz'
2025-08-31T09:31:06,056   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz'
2025-08-31T09:31:06,058   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz'
2025-08-31T09:31:06,060   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz'
2025-08-31T09:31:06,062   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz'
2025-08-31T09:31:06,064   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz'
2025-08-31T09:31:06,066   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz'
2025-08-31T09:31:06,067   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz'
2025-08-31T09:31:06,069   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz'
2025-08-31T09:31:06,071   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz'
2025-08-31T09:31:06,073   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz'
2025-08-31T09:31:06,075   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz'
2025-08-31T09:31:06,076   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz'
2025-08-31T09:31:06,078   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz'
2025-08-31T09:31:06,080   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz'
2025-08-31T09:31:06,081   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz'
2025-08-31T09:31:06,083   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz'
2025-08-31T09:31:06,085   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz'
2025-08-31T09:31:06,086   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz'
2025-08-31T09:31:06,088   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz'
2025-08-31T09:31:06,091   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz'
2025-08-31T09:31:06,092   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz'
2025-08-31T09:31:06,094   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz'
2025-08-31T09:31:06,096   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz'
2025-08-31T09:31:06,098   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz'
2025-08-31T09:31:06,100   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz'
2025-08-31T09:31:06,102   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz'
2025-08-31T09:31:06,103   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz'
2025-08-31T09:31:06,105   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz'
2025-08-31T09:31:06,107   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz'
2025-08-31T09:31:06,109   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz'
2025-08-31T09:31:06,110   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz'
2025-08-31T09:31:06,112   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz'
2025-08-31T09:31:06,115   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz'
2025-08-31T09:31:06,117   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz'
2025-08-31T09:31:06,118   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz'
2025-08-31T09:31:06,120   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz'
2025-08-31T09:31:06,122   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz'
2025-08-31T09:31:06,123   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz'
2025-08-31T09:31:06,125   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz'
2025-08-31T09:31:06,127   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz'
2025-08-31T09:31:06,129   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz'
2025-08-31T09:31:06,130   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz'
2025-08-31T09:31:06,132   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz'
2025-08-31T09:31:06,134   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz'
2025-08-31T09:31:06,136   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz'
2025-08-31T09:31:06,138   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz'
2025-08-31T09:31:06,140   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz'
2025-08-31T09:31:06,142   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz'
2025-08-31T09:31:06,144   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz'
2025-08-31T09:31:06,146   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz'
2025-08-31T09:31:06,148   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz'
2025-08-31T09:31:06,150   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz'
2025-08-31T09:31:06,152   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz'
2025-08-31T09:31:06,154   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz'
2025-08-31T09:31:06,155   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz'
2025-08-31T09:31:06,157   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz'
2025-08-31T09:31:06,159   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz'
2025-08-31T09:31:06,160   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz'
2025-08-31T09:31:06,162   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz'
2025-08-31T09:31:06,164   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz'
2025-08-31T09:31:06,166   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz'
2025-08-31T09:31:06,167   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz'
2025-08-31T09:31:06,169   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz'
2025-08-31T09:31:06,171   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz'
2025-08-31T09:31:06,172   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz'
2025-08-31T09:31:06,174   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz'
2025-08-31T09:31:06,176   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz'
2025-08-31T09:31:06,177   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz'
2025-08-31T09:31:06,179   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz'
2025-08-31T09:31:06,180   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz'
2025-08-31T09:31:06,182   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz'
2025-08-31T09:31:06,184   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz'
2025-08-31T09:31:06,186   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz'
2025-08-31T09:31:06,187   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz'
2025-08-31T09:31:06,189   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz'
2025-08-31T09:31:06,191   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz'
2025-08-31T09:31:06,192   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz'
2025-08-31T09:31:06,194   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz'
2025-08-31T09:31:06,196   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz'
2025-08-31T09:31:06,197   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz'
2025-08-31T09:31:06,200   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz'
2025-08-31T09:31:06,202   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz'
2025-08-31T09:31:06,204   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz'
2025-08-31T09:31:06,206   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz'
2025-08-31T09:31:06,208   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz'
2025-08-31T09:31:06,210   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz'
2025-08-31T09:31:06,212   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz'
2025-08-31T09:31:06,214   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz'
2025-08-31T09:31:06,216   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz'
2025-08-31T09:31:06,218   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz'
2025-08-31T09:31:06,220   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz'
2025-08-31T09:31:06,222   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz'
2025-08-31T09:31:06,224   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz'
2025-08-31T09:31:06,226   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz'
2025-08-31T09:31:06,228   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz'
2025-08-31T09:31:06,230   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz'
2025-08-31T09:31:06,232   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz'
2025-08-31T09:31:06,234   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz'
2025-08-31T09:31:06,236   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz'
2025-08-31T09:31:06,239   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz'
2025-08-31T09:31:06,240   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz'
2025-08-31T09:31:06,242   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz'
2025-08-31T09:31:06,244   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz'
2025-08-31T09:31:06,245   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz'
2025-08-31T09:31:06,247   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz'
2025-08-31T09:31:06,249   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz'
2025-08-31T09:31:06,250   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz'
2025-08-31T09:31:06,252   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz'
2025-08-31T09:31:06,254   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz'
2025-08-31T09:31:06,256   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz'
2025-08-31T09:31:06,257   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz'
2025-08-31T09:31:06,260   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz'
2025-08-31T09:31:06,261   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz'
2025-08-31T09:31:06,263   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz'
2025-08-31T09:31:06,265   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz'
2025-08-31T09:31:06,267   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz'
2025-08-31T09:31:06,269   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz'
2025-08-31T09:31:06,271   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz'
2025-08-31T09:31:06,273   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz'
2025-08-31T09:31:06,275   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz'
2025-08-31T09:31:06,277   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz'
2025-08-31T09:31:06,279   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz'
2025-08-31T09:31:06,281   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz'
2025-08-31T09:31:06,282   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz'
2025-08-31T09:31:06,284   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz'
2025-08-31T09:31:06,287   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz'
2025-08-31T09:31:06,289   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz'
2025-08-31T09:31:06,291   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz'
2025-08-31T09:31:06,294   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz'
2025-08-31T09:31:06,296   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz'
2025-08-31T09:31:06,298   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz'
2025-08-31T09:31:06,300   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz'
2025-08-31T09:31:06,302   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz'
2025-08-31T09:31:06,304   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz'
2025-08-31T09:31:06,306   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz'
2025-08-31T09:31:06,308   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz'
2025-08-31T09:31:06,310   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz'
2025-08-31T09:31:06,311   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz'
2025-08-31T09:31:06,313   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz'
2025-08-31T09:31:06,315   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz'
2025-08-31T09:31:06,317   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz'
2025-08-31T09:31:06,319   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz'
2025-08-31T09:31:06,321   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz'
2025-08-31T09:31:06,323   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz'
2025-08-31T09:31:06,325   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz'
2025-08-31T09:31:06,327   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz'
2025-08-31T09:31:06,329   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz'
2025-08-31T09:31:06,330   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz'
2025-08-31T09:31:06,332   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz'
2025-08-31T09:31:06,334   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz'
2025-08-31T09:31:06,336   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz'
2025-08-31T09:31:06,338   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz'
2025-08-31T09:31:06,340   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz'
2025-08-31T09:31:06,342   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz'
2025-08-31T09:31:06,344   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz'
2025-08-31T09:31:06,345   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz'
2025-08-31T09:31:06,347   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz'
2025-08-31T09:31:06,349   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz'
2025-08-31T09:31:06,350   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz'
2025-08-31T09:31:06,352   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz'
2025-08-31T09:31:06,354   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz'
2025-08-31T09:31:06,355   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz'
2025-08-31T09:31:06,357   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz'
2025-08-31T09:31:06,359   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz'
2025-08-31T09:31:06,361   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz'
2025-08-31T09:31:06,363   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz'
2025-08-31T09:31:06,365   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz'
2025-08-31T09:31:06,366   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz'
2025-08-31T09:31:06,368   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz'
2025-08-31T09:31:06,370   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz'
2025-08-31T09:31:06,372   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz'
2025-08-31T09:31:06,374   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz'
2025-08-31T09:31:06,376   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz'
2025-08-31T09:31:06,377   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz'
2025-08-31T09:31:06,379   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz'
2025-08-31T09:31:06,381   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz'
2025-08-31T09:31:06,382   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz'
2025-08-31T09:31:06,384   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz'
2025-08-31T09:31:06,386   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz'
2025-08-31T09:31:06,388   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz'
2025-08-31T09:31:06,390   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz'
2025-08-31T09:31:06,392   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz'
2025-08-31T09:31:06,394   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz'
2025-08-31T09:31:06,396   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz'
2025-08-31T09:31:06,398   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz'
2025-08-31T09:31:06,400   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz'
2025-08-31T09:31:06,402   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz'
2025-08-31T09:31:06,403   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz'
2025-08-31T09:31:06,405   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz'
2025-08-31T09:31:06,407   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz'
2025-08-31T09:31:06,409   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz'
2025-08-31T09:31:06,412   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz'
2025-08-31T09:31:06,414   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz'
2025-08-31T09:31:06,416   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz'
2025-08-31T09:31:06,417   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz'
2025-08-31T09:31:06,419   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz'
2025-08-31T09:31:06,421   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz'
2025-08-31T09:31:06,423   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz'
2025-08-31T09:31:06,425   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz'
2025-08-31T09:31:06,427   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz'
2025-08-31T09:31:06,429   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz'
2025-08-31T09:31:06,431   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz'
2025-08-31T09:31:06,433   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz'
2025-08-31T09:31:06,435   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz'
2025-08-31T09:31:06,437   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz'
2025-08-31T09:31:06,439   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz'
2025-08-31T09:31:06,441   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz'
2025-08-31T09:31:06,443   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz'
2025-08-31T09:31:06,445   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz'
2025-08-31T09:31:06,447   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz'
2025-08-31T09:31:06,448   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz'
2025-08-31T09:31:06,450   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz'
2025-08-31T09:31:06,452   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz'
2025-08-31T09:31:06,455   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz'
2025-08-31T09:31:06,457   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz'
2025-08-31T09:31:06,459   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz'
2025-08-31T09:31:06,460   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz'
2025-08-31T09:31:06,463   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz'
2025-08-31T09:31:06,465   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz'
2025-08-31T09:31:06,467   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz'
2025-08-31T09:31:06,468   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz'
2025-08-31T09:31:06,471   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz'
2025-08-31T09:31:06,473   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz'
2025-08-31T09:31:06,475   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz'
2025-08-31T09:31:06,476   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz'
2025-08-31T09:31:06,478   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz'
2025-08-31T09:31:06,480   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz'
2025-08-31T09:31:06,482   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz'
2025-08-31T09:31:06,485   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz'
2025-08-31T09:31:06,487   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz'
2025-08-31T09:31:06,489   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz'
2025-08-31T09:31:06,491   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz'
2025-08-31T09:31:06,492   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz'
2025-08-31T09:31:06,495   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz'
2025-08-31T09:31:06,497   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz'
2025-08-31T09:31:06,499   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz'
2025-08-31T09:31:06,501   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz'
2025-08-31T09:31:06,502   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz'
2025-08-31T09:31:06,504   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz'
2025-08-31T09:31:06,508   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz'
2025-08-31T09:31:06,509   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz'
2025-08-31T09:31:06,511   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz'
2025-08-31T09:31:06,513   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz'
2025-08-31T09:31:06,514   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz'
2025-08-31T09:31:06,516   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz'
2025-08-31T09:31:06,518   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz'
2025-08-31T09:31:06,520   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz'
2025-08-31T09:31:06,521   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz'
2025-08-31T09:31:06,523   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz'
2025-08-31T09:31:06,525   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz'
2025-08-31T09:31:06,527   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz'
2025-08-31T09:31:06,529   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz'
2025-08-31T09:31:06,530   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz'
2025-08-31T09:31:06,532   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz'
2025-08-31T09:31:06,534   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz'
2025-08-31T09:31:06,536   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz'
2025-08-31T09:31:06,537   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz'
2025-08-31T09:31:06,539   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz'
2025-08-31T09:31:06,541   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz'
2025-08-31T09:31:06,543   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz'
2025-08-31T09:31:06,545   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz'
2025-08-31T09:31:06,547   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz'
2025-08-31T09:31:06,549   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz'
2025-08-31T09:31:06,550   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz'
2025-08-31T09:31:06,552   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz'
2025-08-31T09:31:06,554   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz'
2025-08-31T09:31:06,555   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz'
2025-08-31T09:31:06,557   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz'
2025-08-31T09:31:06,559   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz'
2025-08-31T09:31:06,561   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz'
2025-08-31T09:31:06,563   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz'
2025-08-31T09:31:06,565   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz'
2025-08-31T09:31:06,566   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz'
2025-08-31T09:31:06,568   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz'
2025-08-31T09:31:06,570   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz'
2025-08-31T09:31:06,572   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz'
2025-08-31T09:31:06,574   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz'
2025-08-31T09:31:06,576   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz'
2025-08-31T09:31:06,577   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz'
2025-08-31T09:31:06,579   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz'
2025-08-31T09:31:06,581   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz'
2025-08-31T09:31:06,583   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz'
2025-08-31T09:31:06,585   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz'
2025-08-31T09:31:06,586   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz'
2025-08-31T09:31:06,588   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz'
2025-08-31T09:31:06,590   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz'
2025-08-31T09:31:06,591   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz'
2025-08-31T09:31:06,593   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz'
2025-08-31T09:31:06,595   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz'
2025-08-31T09:31:06,596   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz'
2025-08-31T09:31:06,598   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz'
2025-08-31T09:31:06,599   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz'
2025-08-31T09:31:06,601   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz'
2025-08-31T09:31:06,603   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz'
2025-08-31T09:31:06,604   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz'
2025-08-31T09:31:06,606   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz'
2025-08-31T09:31:06,608   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz'
2025-08-31T09:31:06,611   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz'
2025-08-31T09:31:06,613   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz'
2025-08-31T09:31:06,615   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz'
2025-08-31T09:31:06,616   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz'
2025-08-31T09:31:06,618   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz'
2025-08-31T09:31:06,620   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz'
2025-08-31T09:31:06,623   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz'
2025-08-31T09:31:06,625   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz'
2025-08-31T09:31:06,628   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz'
2025-08-31T09:31:06,632   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz'
2025-08-31T09:31:06,634   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz'
2025-08-31T09:31:06,636   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz'
2025-08-31T09:31:06,638   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz'
2025-08-31T09:31:06,640   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz'
2025-08-31T09:31:06,642   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz'
2025-08-31T09:31:06,644   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz'
2025-08-31T09:31:06,646   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz'
2025-08-31T09:31:06,648   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz'
2025-08-31T09:31:06,650   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz'
2025-08-31T09:31:06,653   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz'
2025-08-31T09:31:06,655   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz'
2025-08-31T09:31:06,657   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz'
2025-08-31T09:31:06,659   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz'
2025-08-31T09:31:06,661   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz'
2025-08-31T09:31:06,663   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz'
2025-08-31T09:31:06,665   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz'
2025-08-31T09:31:06,667   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz'
2025-08-31T09:31:06,670   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz'
2025-08-31T09:31:06,673   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz'
2025-08-31T09:31:06,676   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz'
2025-08-31T09:31:06,678   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz'
2025-08-31T09:31:06,680   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz'
2025-08-31T09:31:06,682   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz'
2025-08-31T09:31:06,684   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz'
2025-08-31T09:31:06,686   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz'
2025-08-31T09:31:06,689   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz'
2025-08-31T09:31:06,691   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz'
2025-08-31T09:31:06,693   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz'
2025-08-31T09:31:06,694   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz'
2025-08-31T09:31:06,696   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz'
2025-08-31T09:31:06,699   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz'
2025-08-31T09:31:06,701   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz'
2025-08-31T09:31:06,703   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz'
2025-08-31T09:31:06,705   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz'
2025-08-31T09:31:06,706   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz'
2025-08-31T09:31:06,708   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz'
2025-08-31T09:31:06,710   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz'
2025-08-31T09:31:06,712   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz'
2025-08-31T09:31:06,714   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz'
2025-08-31T09:31:06,715   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz'
2025-08-31T09:31:06,717   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz'
2025-08-31T09:31:06,719   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz'
2025-08-31T09:31:06,722   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz'
2025-08-31T09:31:06,724   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz'
2025-08-31T09:31:06,725   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz'
2025-08-31T09:31:06,727   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz'
2025-08-31T09:31:06,728   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz'
2025-08-31T09:31:06,730   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz'
2025-08-31T09:31:06,732   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz'
2025-08-31T09:31:06,733   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz'
2025-08-31T09:31:06,736   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz'
2025-08-31T09:31:06,738   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz'
2025-08-31T09:31:06,740   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz'
2025-08-31T09:31:06,742   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz'
2025-08-31T09:31:06,746   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz'
2025-08-31T09:31:06,749   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz'
2025-08-31T09:31:06,751   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz'
2025-08-31T09:31:06,752   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz'
2025-08-31T09:31:06,754   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz'
2025-08-31T09:31:06,756   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz'
2025-08-31T09:31:06,758   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz'
2025-08-31T09:31:06,760   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz'
2025-08-31T09:31:06,763   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz'
2025-08-31T09:31:06,768   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz'
2025-08-31T09:31:06,771   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz'
2025-08-31T09:31:06,773   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz'
2025-08-31T09:31:06,775   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz'
2025-08-31T09:31:06,777   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz'
2025-08-31T09:31:06,779   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz'
2025-08-31T09:31:06,781   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz'
2025-08-31T09:31:06,784   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz'
2025-08-31T09:31:06,786   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz'
2025-08-31T09:31:06,790   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz'
2025-08-31T09:31:06,794   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz'
2025-08-31T09:31:06,796   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz'
2025-08-31T09:31:06,798   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz'
2025-08-31T09:31:06,800   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz'
2025-08-31T09:31:06,802   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz'
2025-08-31T09:31:06,803   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz'
2025-08-31T09:31:06,805   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz'
2025-08-31T09:31:06,807   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz'
2025-08-31T09:31:06,809   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz'
2025-08-31T09:31:06,811   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz'
2025-08-31T09:31:06,813   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz'
2025-08-31T09:31:06,815   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz'
2025-08-31T09:31:06,817   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz'
2025-08-31T09:31:06,819   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz'
2025-08-31T09:31:06,821   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz'
2025-08-31T09:31:06,823   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz'
2025-08-31T09:31:06,824   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz'
2025-08-31T09:31:06,826   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz'
2025-08-31T09:31:06,828   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz'
2025-08-31T09:31:06,829   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz'
2025-08-31T09:31:06,831   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz'
2025-08-31T09:31:06,833   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz'
2025-08-31T09:31:06,834   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz'
2025-08-31T09:31:06,836   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz'
2025-08-31T09:31:06,837   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz'
2025-08-31T09:31:06,839   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz'
2025-08-31T09:31:06,841   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz'
2025-08-31T09:31:06,842   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz'
2025-08-31T09:31:06,844   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz'
2025-08-31T09:31:06,846   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz'
2025-08-31T09:31:06,848   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz'
2025-08-31T09:31:06,850   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz'
2025-08-31T09:31:06,851   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz'
2025-08-31T09:31:06,853   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz'
2025-08-31T09:31:06,855   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz'
2025-08-31T09:31:06,856   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz'
2025-08-31T09:31:06,858   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz'
2025-08-31T09:31:06,860   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz'
2025-08-31T09:31:06,861   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz'
2025-08-31T09:31:06,863   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz'
2025-08-31T09:31:06,865   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz'
2025-08-31T09:31:06,866   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz'
2025-08-31T09:31:06,869   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz'
2025-08-31T09:31:06,871   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz'
2025-08-31T09:31:06,873   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz'
2025-08-31T09:31:06,875   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz'
2025-08-31T09:31:06,876   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz'
2025-08-31T09:31:06,878   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz'
2025-08-31T09:31:06,880   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz'
2025-08-31T09:31:06,881   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz'
2025-08-31T09:31:06,883   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz'
2025-08-31T09:31:06,885   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz'
2025-08-31T09:31:06,886   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz'
2025-08-31T09:31:06,888   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz'
2025-08-31T09:31:06,890   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz'
2025-08-31T09:31:06,891   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz'
2025-08-31T09:31:06,893   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz'
2025-08-31T09:31:06,895   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz'
2025-08-31T09:31:06,896   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz'
2025-08-31T09:31:06,898   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz'
2025-08-31T09:31:06,900   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz'
2025-08-31T09:31:06,901   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz'
2025-08-31T09:31:06,905   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz'
2025-08-31T09:31:06,907   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz'
2025-08-31T09:31:06,908   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz'
2025-08-31T09:31:06,910   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz'
2025-08-31T09:31:06,912   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz'
2025-08-31T09:31:06,914   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz'
2025-08-31T09:31:06,916   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz'
2025-08-31T09:31:06,917   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz'
2025-08-31T09:31:06,919   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz'
2025-08-31T09:31:06,921   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz'
2025-08-31T09:31:06,923   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz'
2025-08-31T09:31:06,926   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz'
2025-08-31T09:31:06,927   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz'
2025-08-31T09:31:06,929   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz'
2025-08-31T09:31:06,931   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz'
2025-08-31T09:31:06,933   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz'
2025-08-31T09:31:06,935   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz'
2025-08-31T09:31:06,937   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz'
2025-08-31T09:31:06,939   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz'
2025-08-31T09:31:06,941   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz'
2025-08-31T09:31:06,943   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz'
2025-08-31T09:31:06,945   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz'
2025-08-31T09:31:06,947   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz'
2025-08-31T09:31:06,949   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz'
2025-08-31T09:31:06,952   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz'
2025-08-31T09:31:06,954   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz'
2025-08-31T09:31:06,956   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz'
2025-08-31T09:31:06,958   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz'
2025-08-31T09:31:06,960   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz'
2025-08-31T09:31:06,962   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz'
2025-08-31T09:31:06,964   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz'
2025-08-31T09:31:06,965   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz'
2025-08-31T09:31:06,969   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz'
2025-08-31T09:31:06,970   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz'
2025-08-31T09:31:06,972   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz'
2025-08-31T09:31:06,974   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz'
2025-08-31T09:31:06,975   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz'
2025-08-31T09:31:06,977   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz'
2025-08-31T09:31:06,979   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz'
2025-08-31T09:31:06,980   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz'
2025-08-31T09:31:06,982   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz'
2025-08-31T09:31:06,984   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz'
2025-08-31T09:31:06,985   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz'
2025-08-31T09:31:06,987   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz'
2025-08-31T09:31:06,989   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz'
2025-08-31T09:31:06,990   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz'
2025-08-31T09:31:06,992   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz'
2025-08-31T09:31:06,994   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz'
2025-08-31T09:31:06,995   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz'
2025-08-31T09:31:06,997   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz'
2025-08-31T09:31:06,999   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz'
2025-08-31T09:31:07,000   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz'
2025-08-31T09:31:07,002   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz'
2025-08-31T09:31:07,003   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz'
2025-08-31T09:31:07,005   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz'
2025-08-31T09:31:07,006   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz'
2025-08-31T09:31:07,008   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz'
2025-08-31T09:31:07,010   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz'
2025-08-31T09:31:07,011   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz'
2025-08-31T09:31:07,013   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz'
2025-08-31T09:31:07,015   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz'
2025-08-31T09:31:07,016   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz'
2025-08-31T09:31:07,018   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz'
2025-08-31T09:31:07,020   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz'
2025-08-31T09:31:07,021   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz'
2025-08-31T09:31:07,023   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz'
2025-08-31T09:31:07,025   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz'
2025-08-31T09:31:07,027   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz'
2025-08-31T09:31:07,028   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz'
2025-08-31T09:31:07,030   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz'
2025-08-31T09:31:07,032   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz'
2025-08-31T09:31:07,033   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz'
2025-08-31T09:31:07,035   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz'
2025-08-31T09:31:07,037   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz'
2025-08-31T09:31:07,039   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz'
2025-08-31T09:31:07,041   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz'
2025-08-31T09:31:07,042   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz'
2025-08-31T09:31:07,044   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz'
2025-08-31T09:31:07,046   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz'
2025-08-31T09:31:07,047   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz'
2025-08-31T09:31:07,049   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz'
2025-08-31T09:31:07,051   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz'
2025-08-31T09:31:07,053   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz'
2025-08-31T09:31:07,054   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz'
2025-08-31T09:31:07,056   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz'
2025-08-31T09:31:07,057   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz'
2025-08-31T09:31:07,059   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz'
2025-08-31T09:31:07,060   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz'
2025-08-31T09:31:07,062   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz'
2025-08-31T09:31:07,064   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz'
2025-08-31T09:31:07,065   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz'
2025-08-31T09:31:07,067   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz'
2025-08-31T09:31:07,068   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz'
2025-08-31T09:31:07,070   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz'
2025-08-31T09:31:07,072   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz'
2025-08-31T09:31:07,073   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz'
2025-08-31T09:31:07,075   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz'
2025-08-31T09:31:07,077   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz'
2025-08-31T09:31:07,078   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz'
2025-08-31T09:31:07,080   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz'
2025-08-31T09:31:07,081   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz'
2025-08-31T09:31:07,084   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz'
2025-08-31T09:31:07,086   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz'
2025-08-31T09:31:07,087   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz'
2025-08-31T09:31:07,089   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz'
2025-08-31T09:31:07,091   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz'
2025-08-31T09:31:07,093   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz'
2025-08-31T09:31:07,094   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz'
2025-08-31T09:31:07,096   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz'
2025-08-31T09:31:07,098   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz'
2025-08-31T09:31:07,100   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz'
2025-08-31T09:31:07,102   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz'
2025-08-31T09:31:07,103   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz'
2025-08-31T09:31:07,105   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz'
2025-08-31T09:31:07,107   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz'
2025-08-31T09:31:07,109   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz'
2025-08-31T09:31:07,110   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz'
2025-08-31T09:31:07,112   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz'
2025-08-31T09:31:07,114   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz'
2025-08-31T09:31:07,116   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz'
2025-08-31T09:31:07,118   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz'
2025-08-31T09:31:07,120   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz'
2025-08-31T09:31:07,121   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz'
2025-08-31T09:31:07,123   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz'
2025-08-31T09:31:07,125   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz'
2025-08-31T09:31:07,126   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz'
2025-08-31T09:31:07,128   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz'
2025-08-31T09:31:07,130   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz'
2025-08-31T09:31:07,131   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz'
2025-08-31T09:31:07,133   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz'
2025-08-31T09:31:07,136   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz'
2025-08-31T09:31:07,137   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz'
2025-08-31T09:31:07,139   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz'
2025-08-31T09:31:07,141   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz'
2025-08-31T09:31:07,142   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz'
2025-08-31T09:31:07,144   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz'
2025-08-31T09:31:07,145   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz'
2025-08-31T09:31:07,147   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz'
2025-08-31T09:31:07,149   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz'
2025-08-31T09:31:07,150   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz'
2025-08-31T09:31:07,152   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz'
2025-08-31T09:31:07,154   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz'
2025-08-31T09:31:07,155   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz'
2025-08-31T09:31:07,157   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz'
2025-08-31T09:31:07,159   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz'
2025-08-31T09:31:07,161   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz'
2025-08-31T09:31:07,162   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz'
2025-08-31T09:31:07,164   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz'
2025-08-31T09:31:07,166   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz'
2025-08-31T09:31:07,168   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz'
2025-08-31T09:31:07,170   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz'
2025-08-31T09:31:07,171   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz'
2025-08-31T09:31:07,173   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz'
2025-08-31T09:31:07,175   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz'
2025-08-31T09:31:07,177   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz'
2025-08-31T09:31:07,179   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz'
2025-08-31T09:31:07,181   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz'
2025-08-31T09:31:07,183   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz'
2025-08-31T09:31:07,185   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz'
2025-08-31T09:31:07,186   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz'
2025-08-31T09:31:07,188   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz'
2025-08-31T09:31:07,190   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz'
2025-08-31T09:31:07,192   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz'
2025-08-31T09:31:07,194   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz'
2025-08-31T09:31:07,196   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz'
2025-08-31T09:31:07,197   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz'
2025-08-31T09:31:07,199   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz'
2025-08-31T09:31:07,201   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz'
2025-08-31T09:31:07,203   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz'
2025-08-31T09:31:07,204   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz'
2025-08-31T09:31:07,206   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz'
2025-08-31T09:31:07,208   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz'
2025-08-31T09:31:07,210   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz'
2025-08-31T09:31:07,212   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz'
2025-08-31T09:31:07,213   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz'
2025-08-31T09:31:07,215   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz'
2025-08-31T09:31:07,217   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz'
2025-08-31T09:31:07,218   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz'
2025-08-31T09:31:07,220   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz'
2025-08-31T09:31:07,222   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz'
2025-08-31T09:31:07,224   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz'
2025-08-31T09:31:07,226   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz'
2025-08-31T09:31:07,228   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz'
2025-08-31T09:31:07,230   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz'
2025-08-31T09:31:07,231   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz'
2025-08-31T09:31:07,233   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz'
2025-08-31T09:31:07,235   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz'
2025-08-31T09:31:07,236   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz'
2025-08-31T09:31:07,238   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz'
2025-08-31T09:31:07,240   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz'
2025-08-31T09:31:07,242   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz'
2025-08-31T09:31:07,243   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz'
2025-08-31T09:31:07,245   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz'
2025-08-31T09:31:07,247   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz'
2025-08-31T09:31:07,249   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz'
2025-08-31T09:31:07,250   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz'
2025-08-31T09:31:07,254   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz'
2025-08-31T09:31:07,256   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz'
2025-08-31T09:31:07,258   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz'
2025-08-31T09:31:07,260   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz'
2025-08-31T09:31:07,262   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz'
2025-08-31T09:31:07,264   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz'
2025-08-31T09:31:07,266   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz'
2025-08-31T09:31:07,267   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz'
2025-08-31T09:31:07,269   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz'
2025-08-31T09:31:07,271   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz'
2025-08-31T09:31:07,273   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz'
2025-08-31T09:31:07,275   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz'
2025-08-31T09:31:07,277   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz'
2025-08-31T09:31:07,279   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz'
2025-08-31T09:31:07,281   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz'
2025-08-31T09:31:07,283   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz'
2025-08-31T09:31:07,285   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz'
2025-08-31T09:31:07,286   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz'
2025-08-31T09:31:07,288   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz'
2025-08-31T09:31:07,290   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz'
2025-08-31T09:31:07,292   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz'
2025-08-31T09:31:07,294   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz'
2025-08-31T09:31:07,296   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz'
2025-08-31T09:31:07,297   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz'
2025-08-31T09:31:07,299   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz'
2025-08-31T09:31:07,301   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz'
2025-08-31T09:31:07,302   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz'
2025-08-31T09:31:07,304   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz'
2025-08-31T09:31:07,306   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz'
2025-08-31T09:31:07,307   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz'
2025-08-31T09:31:07,309   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz'
2025-08-31T09:31:07,312   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz'
2025-08-31T09:31:07,315   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz'
2025-08-31T09:31:07,319   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz'
2025-08-31T09:31:07,322   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz'
2025-08-31T09:31:07,326   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz'
2025-08-31T09:31:07,329   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz'
2025-08-31T09:31:07,332   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz'
2025-08-31T09:31:07,334   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz'
2025-08-31T09:31:07,336   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz'
2025-08-31T09:31:07,338   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz'
2025-08-31T09:31:07,340   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz'
2025-08-31T09:31:07,343   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz'
2025-08-31T09:31:07,345   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz'
2025-08-31T09:31:07,347   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz'
2025-08-31T09:31:07,350   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz'
2025-08-31T09:31:07,352   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz'
2025-08-31T09:31:07,354   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz'
2025-08-31T09:31:07,357   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz'
2025-08-31T09:31:07,359   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz'
2025-08-31T09:31:07,361   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz'
2025-08-31T09:31:07,363   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz'
2025-08-31T09:31:07,365   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz'
2025-08-31T09:31:07,367   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz'
2025-08-31T09:31:07,369   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz'
2025-08-31T09:31:07,371   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz'
2025-08-31T09:31:07,373   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz'
2025-08-31T09:31:07,376   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz'
2025-08-31T09:31:07,378   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz'
2025-08-31T09:31:07,380   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz'
2025-08-31T09:31:07,383   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz'
2025-08-31T09:31:07,385   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz'
2025-08-31T09:31:07,387   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz'
2025-08-31T09:31:07,389   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz'
2025-08-31T09:31:07,391   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz'
2025-08-31T09:31:07,393   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz'
2025-08-31T09:31:07,396   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz'
2025-08-31T09:31:07,398   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz'
2025-08-31T09:31:07,400   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz'
2025-08-31T09:31:07,402   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz'
2025-08-31T09:31:07,404   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz'
2025-08-31T09:31:07,406   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz'
2025-08-31T09:31:07,408   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz'
2025-08-31T09:31:07,410   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz'
2025-08-31T09:31:07,412   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz'
2025-08-31T09:31:07,414   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz'
2025-08-31T09:31:07,416   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz'
2025-08-31T09:31:07,418   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz'
2025-08-31T09:31:07,420   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz'
2025-08-31T09:31:07,422   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz'
2025-08-31T09:31:07,424   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz'
2025-08-31T09:31:07,426   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz'
2025-08-31T09:31:07,428   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz'
2025-08-31T09:31:07,430   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz'
2025-08-31T09:31:07,432   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz'
2025-08-31T09:31:07,434   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz'
2025-08-31T09:31:07,437   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz'
2025-08-31T09:31:07,439   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz'
2025-08-31T09:31:07,443   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz'
2025-08-31T09:31:07,445   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz'
2025-08-31T09:31:07,447   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz'
2025-08-31T09:31:07,449   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz'
2025-08-31T09:31:07,451   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz'
2025-08-31T09:31:07,453   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz'
2025-08-31T09:31:07,455   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz'
2025-08-31T09:31:07,457   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz'
2025-08-31T09:31:07,460   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz'
2025-08-31T09:31:07,462   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz'
2025-08-31T09:31:07,464   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz'
2025-08-31T09:31:07,466   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz'
2025-08-31T09:31:07,469   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz'
2025-08-31T09:31:07,471   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz'
2025-08-31T09:31:07,473   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz'
2025-08-31T09:31:07,476   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz'
2025-08-31T09:31:07,478   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz'
2025-08-31T09:31:07,480   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz'
2025-08-31T09:31:07,483   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz'
2025-08-31T09:31:07,486   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz'
2025-08-31T09:31:07,709   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz'
2025-08-31T09:31:07,713   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz'
2025-08-31T09:31:07,717   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz'
2025-08-31T09:31:07,721   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz'
2025-08-31T09:31:07,725   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz'
2025-08-31T09:31:07,729   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz'
2025-08-31T09:31:07,733   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz'
2025-08-31T09:31:07,735   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz'
2025-08-31T09:31:07,737   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz'
2025-08-31T09:31:07,739   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz'
2025-08-31T09:31:07,741   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz'
2025-08-31T09:31:07,743   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz'
2025-08-31T09:31:07,745   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz'
2025-08-31T09:31:07,747   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz'
2025-08-31T09:31:07,749   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz'
2025-08-31T09:31:07,751   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz'
2025-08-31T09:31:07,753   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz'
2025-08-31T09:31:07,755   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz'
2025-08-31T09:31:07,757   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz'
2025-08-31T09:31:07,759   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz'
2025-08-31T09:31:07,761   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz'
2025-08-31T09:31:07,763   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz'
2025-08-31T09:31:07,765   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz'
2025-08-31T09:31:07,767   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz'
2025-08-31T09:31:07,769   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz'
2025-08-31T09:31:07,771   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz'
2025-08-31T09:31:07,773   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz'
2025-08-31T09:31:07,775   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz'
2025-08-31T09:31:07,777   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz'
2025-08-31T09:31:07,779   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz'
2025-08-31T09:31:07,781   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz'
2025-08-31T09:31:07,783   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz'
2025-08-31T09:31:07,786   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz'
2025-08-31T09:31:07,788   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz'
2025-08-31T09:31:07,790   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz'
2025-08-31T09:31:07,792   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz'
2025-08-31T09:31:07,794   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz'
2025-08-31T09:31:07,800   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz'
2025-08-31T09:31:07,802   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz'
2025-08-31T09:31:07,804   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz'
2025-08-31T09:31:07,806   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz'
2025-08-31T09:31:07,808   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz'
2025-08-31T09:31:07,810   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz'
2025-08-31T09:31:07,812   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz'
2025-08-31T09:31:07,815   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz'
2025-08-31T09:31:07,817   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz'
2025-08-31T09:31:07,819   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz'
2025-08-31T09:31:07,821   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz'
2025-08-31T09:31:07,824   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz'
2025-08-31T09:31:07,826   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz'
2025-08-31T09:31:07,828   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz'
2025-08-31T09:31:07,831   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz'
2025-08-31T09:31:07,833   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz'
2025-08-31T09:31:07,835   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz'
2025-08-31T09:31:07,837   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz'
2025-08-31T09:31:07,839   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz'
2025-08-31T09:31:07,841   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz'
2025-08-31T09:31:07,843   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz'
2025-08-31T09:31:07,845   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz'
2025-08-31T09:31:07,847   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz'
2025-08-31T09:31:07,849   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz'
2025-08-31T09:31:07,851   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz'
2025-08-31T09:31:07,853   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz'
2025-08-31T09:31:07,855   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz'
2025-08-31T09:31:07,857   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz'
2025-08-31T09:31:07,859   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz'
2025-08-31T09:31:07,861   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz'
2025-08-31T09:31:07,863   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz'
2025-08-31T09:31:07,866   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz'
2025-08-31T09:31:07,868   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz'
2025-08-31T09:31:07,870   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz'
2025-08-31T09:31:07,872   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz'
2025-08-31T09:31:07,874   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz'
2025-08-31T09:31:07,876   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz'
2025-08-31T09:31:07,878   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz'
2025-08-31T09:31:07,880   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz'
2025-08-31T09:31:07,882   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz'
2025-08-31T09:31:07,884   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz'
2025-08-31T09:31:07,886   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz'
2025-08-31T09:31:07,888   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz'
2025-08-31T09:31:07,890   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz'
2025-08-31T09:31:07,893   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz'
2025-08-31T09:31:07,895   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz'
2025-08-31T09:31:07,897   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz'
2025-08-31T09:31:07,899   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz'
2025-08-31T09:31:07,901   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz'
2025-08-31T09:31:07,903   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz'
2025-08-31T09:31:07,905   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz'
2025-08-31T09:31:07,907   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz'
2025-08-31T09:31:07,909   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz'
2025-08-31T09:31:07,912   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz'
2025-08-31T09:31:07,914   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz'
2025-08-31T09:31:07,916   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz'
2025-08-31T09:31:07,918   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz'
2025-08-31T09:31:07,920   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz'
2025-08-31T09:31:07,922   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz'
2025-08-31T09:31:07,924   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz'
2025-08-31T09:31:07,927   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz'
2025-08-31T09:31:07,929   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz'
2025-08-31T09:31:07,931   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz'
2025-08-31T09:31:07,933   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz'
2025-08-31T09:31:07,935   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz'
2025-08-31T09:31:07,937   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz'
2025-08-31T09:31:07,940   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz'
2025-08-31T09:31:07,942   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz'
2025-08-31T09:31:07,944   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz'
2025-08-31T09:31:07,946   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz'
2025-08-31T09:31:07,948   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz'
2025-08-31T09:31:07,950   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz'
2025-08-31T09:31:07,952   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz'
2025-08-31T09:31:07,954   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz'
2025-08-31T09:31:07,956   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz'
2025-08-31T09:31:07,958   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz'
2025-08-31T09:31:07,960   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz'
2025-08-31T09:31:07,962   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz'
2025-08-31T09:31:07,964   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz'
2025-08-31T09:31:07,966   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz'
2025-08-31T09:31:07,968   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz'
2025-08-31T09:31:07,970   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz'
2025-08-31T09:31:07,972   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz'
2025-08-31T09:31:07,974   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz'
2025-08-31T09:31:07,976   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz'
2025-08-31T09:31:07,978   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz'
2025-08-31T09:31:07,980   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz'
2025-08-31T09:31:07,982   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz'
2025-08-31T09:31:07,984   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz'
2025-08-31T09:31:07,986   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz'
2025-08-31T09:31:07,988   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz'
2025-08-31T09:31:07,990   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz'
2025-08-31T09:31:07,992   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz'
2025-08-31T09:31:07,994   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz'
2025-08-31T09:31:07,996   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz'
2025-08-31T09:31:07,998   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz'
2025-08-31T09:31:08,000   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz'
2025-08-31T09:31:08,002   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz'
2025-08-31T09:31:08,004   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz'
2025-08-31T09:31:08,006   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz'
2025-08-31T09:31:08,009   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz'
2025-08-31T09:31:08,011   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz'
2025-08-31T09:31:08,013   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz'
2025-08-31T09:31:08,015   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz'
2025-08-31T09:31:08,017   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz'
2025-08-31T09:31:08,020   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz'
2025-08-31T09:31:08,022   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz'
2025-08-31T09:31:08,024   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz'
2025-08-31T09:31:08,026   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz'
2025-08-31T09:31:08,028   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz'
2025-08-31T09:31:08,031   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz'
2025-08-31T09:31:08,033   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz'
2025-08-31T09:31:08,035   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz'
2025-08-31T09:31:08,037   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz'
2025-08-31T09:31:08,040   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz'
2025-08-31T09:31:08,042   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz'
2025-08-31T09:31:08,044   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz'
2025-08-31T09:31:08,046   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz'
2025-08-31T09:31:08,048   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz'
2025-08-31T09:31:08,050   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz'
2025-08-31T09:31:08,053   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz'
2025-08-31T09:31:08,055   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz'
2025-08-31T09:31:08,057   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz'
2025-08-31T09:31:08,059   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz'
2025-08-31T09:31:08,061   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz'
2025-08-31T09:31:08,063   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz'
2025-08-31T09:31:08,065   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz'
2025-08-31T09:31:08,067   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz'
2025-08-31T09:31:08,069   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz'
2025-08-31T09:31:08,071   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz'
2025-08-31T09:31:08,073   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz'
2025-08-31T09:31:08,075   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz'
2025-08-31T09:31:08,077   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz'
2025-08-31T09:31:08,079   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz'
2025-08-31T09:31:08,081   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz'
2025-08-31T09:31:08,083   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz'
2025-08-31T09:31:08,085   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz'
2025-08-31T09:31:08,087   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz'
2025-08-31T09:31:08,089   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz'
2025-08-31T09:31:08,091   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz'
2025-08-31T09:31:08,093   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz'
2025-08-31T09:31:08,095   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz'
2025-08-31T09:31:08,097   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz'
2025-08-31T09:31:08,100   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz'
2025-08-31T09:31:08,102   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz'
2025-08-31T09:31:08,103   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz'
2025-08-31T09:31:08,105   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz'
2025-08-31T09:31:08,107   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz'
2025-08-31T09:31:08,109   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz'
2025-08-31T09:31:08,111   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz'
2025-08-31T09:31:08,113   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz'
2025-08-31T09:31:08,115   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz'
2025-08-31T09:31:08,117   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz'
2025-08-31T09:31:08,119   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz'
2025-08-31T09:31:08,121   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz'
2025-08-31T09:31:08,123   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz'
2025-08-31T09:31:08,125   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz'
2025-08-31T09:31:08,128   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz'
2025-08-31T09:31:08,130   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz'
2025-08-31T09:31:08,132   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz'
2025-08-31T09:31:08,134   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz'
2025-08-31T09:31:08,136   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz'
2025-08-31T09:31:08,138   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz'
2025-08-31T09:31:08,141   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz'
2025-08-31T09:31:08,143   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz'
2025-08-31T09:31:08,145   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz'
2025-08-31T09:31:08,147   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz'
2025-08-31T09:31:08,149   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz'
2025-08-31T09:31:08,152   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz'
2025-08-31T09:31:08,154   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz'
2025-08-31T09:31:08,156   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz'
2025-08-31T09:31:08,158   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz'
2025-08-31T09:31:08,161   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz'
2025-08-31T09:31:08,163   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz'
2025-08-31T09:31:08,165   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz'
2025-08-31T09:31:08,167   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz'
2025-08-31T09:31:08,169   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz'
2025-08-31T09:31:08,171   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz'
2025-08-31T09:31:08,173   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz'
2025-08-31T09:31:08,175   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz'
2025-08-31T09:31:08,177   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz'
2025-08-31T09:31:08,179   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz'
2025-08-31T09:31:08,181   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz'
2025-08-31T09:31:08,184   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz'
2025-08-31T09:31:08,186   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz'
2025-08-31T09:31:08,188   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz'
2025-08-31T09:31:08,190   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz'
2025-08-31T09:31:08,192   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz'
2025-08-31T09:31:08,194   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz'
2025-08-31T09:31:08,196   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz'
2025-08-31T09:31:08,198   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz'
2025-08-31T09:31:08,201   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz'
2025-08-31T09:31:08,203   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz'
2025-08-31T09:31:08,205   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz'
2025-08-31T09:31:08,207   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz'
2025-08-31T09:31:08,209   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz'
2025-08-31T09:31:08,211   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz'
2025-08-31T09:31:08,213   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz'
2025-08-31T09:31:08,216   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz'
2025-08-31T09:31:08,218   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz'
2025-08-31T09:31:08,220   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz'
2025-08-31T09:31:08,222   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz'
2025-08-31T09:31:08,224   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz'
2025-08-31T09:31:08,227   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz'
2025-08-31T09:31:08,229   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz'
2025-08-31T09:31:08,231   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz'
2025-08-31T09:31:08,233   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz'
2025-08-31T09:31:08,235   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz'
2025-08-31T09:31:08,237   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz'
2025-08-31T09:31:08,240   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz'
2025-08-31T09:31:08,242   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz'
2025-08-31T09:31:08,244   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz'
2025-08-31T09:31:08,246   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz'
2025-08-31T09:31:08,248   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz'
2025-08-31T09:31:08,250   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz'
2025-08-31T09:31:08,252   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz'
2025-08-31T09:31:08,254   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz'
2025-08-31T09:31:08,257   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz'
2025-08-31T09:31:08,259   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz'
2025-08-31T09:31:08,261   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz'
2025-08-31T09:31:08,263   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz'
2025-08-31T09:31:08,265   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz'
2025-08-31T09:31:08,267   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz'
2025-08-31T09:31:08,269   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz'
2025-08-31T09:31:08,271   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz'
2025-08-31T09:31:08,273   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz'
2025-08-31T09:31:08,275   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz'
2025-08-31T09:31:08,277   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz'
2025-08-31T09:31:08,280   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz'
2025-08-31T09:31:08,282   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz'
2025-08-31T09:31:08,284   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz'
2025-08-31T09:31:08,286   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz'
2025-08-31T09:31:08,288   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz'
2025-08-31T09:31:08,290   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz'
2025-08-31T09:31:08,292   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz'
2025-08-31T09:31:08,294   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz'
2025-08-31T09:31:08,296   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz'
2025-08-31T09:31:08,298   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz'
2025-08-31T09:31:08,300   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz'
2025-08-31T09:31:08,302   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz'
2025-08-31T09:31:08,307   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz'
2025-08-31T09:31:08,309   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz'
2025-08-31T09:31:08,311   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz'
2025-08-31T09:31:08,313   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz'
2025-08-31T09:31:08,315   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz'
2025-08-31T09:31:08,317   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz'
2025-08-31T09:31:08,319   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz'
2025-08-31T09:31:08,321   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz'
2025-08-31T09:31:08,322   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz'
2025-08-31T09:31:08,324   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz'
2025-08-31T09:31:08,326   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz'
2025-08-31T09:31:08,328   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz'
2025-08-31T09:31:08,329   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz'
2025-08-31T09:31:08,331   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz'
2025-08-31T09:31:08,333   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz'
2025-08-31T09:31:08,335   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz'
2025-08-31T09:31:08,336   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz'
2025-08-31T09:31:08,338   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz'
2025-08-31T09:31:08,340   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz'
2025-08-31T09:31:08,341   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz'
2025-08-31T09:31:08,343   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz'
2025-08-31T09:31:08,344   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz'
2025-08-31T09:31:08,346   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz'
2025-08-31T09:31:08,347   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz'
2025-08-31T09:31:08,349   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz'
2025-08-31T09:31:08,351   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz'
2025-08-31T09:31:08,352   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz'
2025-08-31T09:31:08,354   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz'
2025-08-31T09:31:08,355   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz'
2025-08-31T09:31:08,357   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz'
2025-08-31T09:31:08,359   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz'
2025-08-31T09:31:08,360   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz'
2025-08-31T09:31:08,362   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz'
2025-08-31T09:31:08,364   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz'
2025-08-31T09:31:08,365   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz'
2025-08-31T09:31:08,367   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz'
2025-08-31T09:31:08,369   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz'
2025-08-31T09:31:08,370   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz'
2025-08-31T09:31:08,372   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz'
2025-08-31T09:31:08,373   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz'
2025-08-31T09:31:08,375   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz'
2025-08-31T09:31:08,376   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz'
2025-08-31T09:31:08,378   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz'
2025-08-31T09:31:08,380   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz'
2025-08-31T09:31:08,381   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz'
2025-08-31T09:31:08,383   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz'
2025-08-31T09:31:08,384   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz'
2025-08-31T09:31:08,386   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz'
2025-08-31T09:31:08,388   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz'
2025-08-31T09:31:08,389   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz'
2025-08-31T09:31:08,391   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz'
2025-08-31T09:31:08,393   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz'
2025-08-31T09:31:08,394   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz'
2025-08-31T09:31:08,396   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz'
2025-08-31T09:31:08,398   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz'
2025-08-31T09:31:08,400   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz'
2025-08-31T09:31:08,402   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz'
2025-08-31T09:31:08,404   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz'
2025-08-31T09:31:08,405   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz'
2025-08-31T09:31:08,407   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz'
2025-08-31T09:31:08,409   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz'
2025-08-31T09:31:08,411   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz'
2025-08-31T09:31:08,413   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz'
2025-08-31T09:31:08,415   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz'
2025-08-31T09:31:08,416   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz'
2025-08-31T09:31:08,418   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz'
2025-08-31T09:31:08,419   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz'
2025-08-31T09:31:08,421   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz'
2025-08-31T09:31:08,423   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz'
2025-08-31T09:31:08,424   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz'
2025-08-31T09:31:08,426   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz'
2025-08-31T09:31:08,428   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz'
2025-08-31T09:31:08,429   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz'
2025-08-31T09:31:08,431   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz'
2025-08-31T09:31:08,433   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz'
2025-08-31T09:31:08,434   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz'
2025-08-31T09:31:08,436   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz'
2025-08-31T09:31:08,438   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz'
2025-08-31T09:31:08,439   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz'
2025-08-31T09:31:08,441   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz'
2025-08-31T09:31:08,443   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz'
2025-08-31T09:31:08,444   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz'
2025-08-31T09:31:08,446   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz'
2025-08-31T09:31:08,447   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz'
2025-08-31T09:31:08,449   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz'
2025-08-31T09:31:08,451   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz'
2025-08-31T09:31:08,453   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz'
2025-08-31T09:31:08,454   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz'
2025-08-31T09:31:08,456   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz'
2025-08-31T09:31:08,457   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz'
2025-08-31T09:31:08,459   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz'
2025-08-31T09:31:08,461   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz'
2025-08-31T09:31:08,462   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz'
2025-08-31T09:31:08,464   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz'
2025-08-31T09:31:08,465   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz'
2025-08-31T09:31:08,467   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz'
2025-08-31T09:31:08,469   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz'
2025-08-31T09:31:08,471   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz'
2025-08-31T09:31:08,472   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz'
2025-08-31T09:31:08,474   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz'
2025-08-31T09:31:08,476   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz'
2025-08-31T09:31:08,478   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz'
2025-08-31T09:31:08,479   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz'
2025-08-31T09:31:08,481   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz'
2025-08-31T09:31:08,483   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz'
2025-08-31T09:31:08,484   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz'
2025-08-31T09:31:08,486   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz'
2025-08-31T09:31:08,488   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz'
2025-08-31T09:31:08,490   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz'
2025-08-31T09:31:08,492   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz'
2025-08-31T09:31:08,493   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz'
2025-08-31T09:31:08,495   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz'
2025-08-31T09:31:08,496   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz'
2025-08-31T09:31:08,498   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz'
2025-08-31T09:31:08,500   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz'
2025-08-31T09:31:08,502   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz'
2025-08-31T09:31:08,503   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz'
2025-08-31T09:31:08,505   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz'
2025-08-31T09:31:08,507   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz'
2025-08-31T09:31:08,509   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz'
2025-08-31T09:31:08,510   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz'
2025-08-31T09:31:08,512   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz'
2025-08-31T09:31:08,514   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz'
2025-08-31T09:31:08,515   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz'
2025-08-31T09:31:08,517   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz'
2025-08-31T09:31:08,520   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz'
2025-08-31T09:31:08,521   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz'
2025-08-31T09:31:08,523   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz'
2025-08-31T09:31:08,525   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz'
2025-08-31T09:31:08,526   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz'
2025-08-31T09:31:08,528   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz'
2025-08-31T09:31:08,529   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz'
2025-08-31T09:31:08,531   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz'
2025-08-31T09:31:08,532   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz'
2025-08-31T09:31:08,534   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz'
2025-08-31T09:31:08,536   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz'
2025-08-31T09:31:08,537   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz'
2025-08-31T09:31:08,539   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz'
2025-08-31T09:31:08,540   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz'
2025-08-31T09:31:08,542   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz'
2025-08-31T09:31:08,544   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz'
2025-08-31T09:31:08,545   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz'
2025-08-31T09:31:08,547   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz'
2025-08-31T09:31:08,549   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz'
2025-08-31T09:31:08,550   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz'
2025-08-31T09:31:08,552   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz'
2025-08-31T09:31:08,554   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz'
2025-08-31T09:31:08,556   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz'
2025-08-31T09:31:08,557   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz'
2025-08-31T09:31:08,559   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz'
2025-08-31T09:31:08,561   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz'
2025-08-31T09:31:08,562   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz'
2025-08-31T09:31:08,564   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz'
2025-08-31T09:31:08,566   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz'
2025-08-31T09:31:08,568   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz'
2025-08-31T09:31:08,569   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz'
2025-08-31T09:31:08,571   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz'
2025-08-31T09:31:08,573   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz'
2025-08-31T09:31:08,574   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz'
2025-08-31T09:31:08,576   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz'
2025-08-31T09:31:08,577   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz'
2025-08-31T09:31:08,579   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz'
2025-08-31T09:31:08,581   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz'
2025-08-31T09:31:08,582   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz'
2025-08-31T09:31:08,584   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz'
2025-08-31T09:31:08,586   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz'
2025-08-31T09:31:08,587   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz'
2025-08-31T09:31:08,589   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz'
2025-08-31T09:31:08,591   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz'
2025-08-31T09:31:08,592   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz'
2025-08-31T09:31:08,595   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz'
2025-08-31T09:31:08,596   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz'
2025-08-31T09:31:08,598   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz'
2025-08-31T09:31:08,600   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz'
2025-08-31T09:31:08,601   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz'
2025-08-31T09:31:08,603   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz'
2025-08-31T09:31:08,605   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz'
2025-08-31T09:31:08,607   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz'
2025-08-31T09:31:08,609   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz'
2025-08-31T09:31:08,610   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz'
2025-08-31T09:31:08,612   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz'
2025-08-31T09:31:08,614   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz'
2025-08-31T09:31:08,615   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz'
2025-08-31T09:31:08,617   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz'
2025-08-31T09:31:08,619   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz'
2025-08-31T09:31:08,621   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz'
2025-08-31T09:31:08,622   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz'
2025-08-31T09:31:08,624   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz'
2025-08-31T09:31:08,626   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz'
2025-08-31T09:31:08,628   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz'
2025-08-31T09:31:08,630   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz'
2025-08-31T09:31:08,631   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz'
2025-08-31T09:31:08,633   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz'
2025-08-31T09:31:08,635   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz'
2025-08-31T09:31:08,637   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz'
2025-08-31T09:31:08,639   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz'
2025-08-31T09:31:08,642   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz'
2025-08-31T09:31:08,644   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz'
2025-08-31T09:31:08,646   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz'
2025-08-31T09:31:08,648   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz'
2025-08-31T09:31:08,650   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz'
2025-08-31T09:31:08,653   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz'
2025-08-31T09:31:08,655   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz'
2025-08-31T09:31:08,657   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz'
2025-08-31T09:31:08,659   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz'
2025-08-31T09:31:08,661   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz'
2025-08-31T09:31:08,663   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz'
2025-08-31T09:31:08,665   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz'
2025-08-31T09:31:08,667   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz'
2025-08-31T09:31:08,669   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz'
2025-08-31T09:31:08,671   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz'
2025-08-31T09:31:08,673   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz'
2025-08-31T09:31:08,675   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz'
2025-08-31T09:31:08,677   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz'
2025-08-31T09:31:08,679   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz'
2025-08-31T09:31:08,681   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz'
2025-08-31T09:31:08,683   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz'
2025-08-31T09:31:08,685   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz'
2025-08-31T09:31:08,687   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz'
2025-08-31T09:31:08,692   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz'
2025-08-31T09:31:08,693   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz'
2025-08-31T09:31:08,695   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz'
2025-08-31T09:31:08,696   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz'
2025-08-31T09:31:08,698   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz'
2025-08-31T09:31:08,700   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz'
2025-08-31T09:31:08,701   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz'
2025-08-31T09:31:08,703   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz'
2025-08-31T09:31:08,705   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz'
2025-08-31T09:31:08,706   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz'
2025-08-31T09:31:08,708   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz'
2025-08-31T09:31:08,709   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz'
2025-08-31T09:31:08,711   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz'
2025-08-31T09:31:08,713   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz'
2025-08-31T09:31:08,714   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz'
2025-08-31T09:31:08,716   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz'
2025-08-31T09:31:08,718   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz'
2025-08-31T09:31:08,720   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz'
2025-08-31T09:31:08,722   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz'
2025-08-31T09:31:08,724   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz'
2025-08-31T09:31:08,725   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz'
2025-08-31T09:31:08,727   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz'
2025-08-31T09:31:08,729   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz'
2025-08-31T09:31:08,731   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz'
2025-08-31T09:31:08,733   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz'
2025-08-31T09:31:08,734   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz'
2025-08-31T09:31:08,736   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz'
2025-08-31T09:31:08,738   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz'
2025-08-31T09:31:08,740   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz'
2025-08-31T09:31:08,742   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz'
2025-08-31T09:31:08,744   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz'
2025-08-31T09:31:08,746   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz'
2025-08-31T09:31:08,747   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz'
2025-08-31T09:31:08,749   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz'
2025-08-31T09:31:08,751   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz'
2025-08-31T09:31:08,753   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz'
2025-08-31T09:31:08,754   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz'
2025-08-31T09:31:08,756   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz'
2025-08-31T09:31:08,758   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz'
2025-08-31T09:31:08,759   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz'
2025-08-31T09:31:08,761   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz'
2025-08-31T09:31:08,763   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz'
2025-08-31T09:31:08,764   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz'
2025-08-31T09:31:08,766   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz'
2025-08-31T09:31:08,768   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz'
2025-08-31T09:31:08,769   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz'
2025-08-31T09:31:08,771   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz'
2025-08-31T09:31:08,773   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz'
2025-08-31T09:31:08,774   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz'
2025-08-31T09:31:08,776   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz'
2025-08-31T09:31:08,777   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz'
2025-08-31T09:31:08,779   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz'
2025-08-31T09:31:08,781   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz'
2025-08-31T09:31:08,782   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz'
2025-08-31T09:31:08,784   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz'
2025-08-31T09:31:08,785   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz'
2025-08-31T09:31:08,787   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz'
2025-08-31T09:31:08,788   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz'
2025-08-31T09:31:08,790   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz'
2025-08-31T09:31:08,792   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz'
2025-08-31T09:31:08,793   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz'
2025-08-31T09:31:08,795   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz'
2025-08-31T09:31:08,797   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz'
2025-08-31T09:31:08,799   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz'
2025-08-31T09:31:08,800   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz'
2025-08-31T09:31:08,802   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz'
2025-08-31T09:31:08,804   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz'
2025-08-31T09:31:08,806   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz'
2025-08-31T09:31:08,807   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz'
2025-08-31T09:31:08,809   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz'
2025-08-31T09:31:08,811   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz'
2025-08-31T09:31:08,813   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz'
2025-08-31T09:31:08,814   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz'
2025-08-31T09:31:08,816   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz'
2025-08-31T09:31:08,818   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz'
2025-08-31T09:31:08,820   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz'
2025-08-31T09:31:08,822   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz'
2025-08-31T09:31:08,823   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz'
2025-08-31T09:31:08,825   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz'
2025-08-31T09:31:08,827   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz'
2025-08-31T09:31:08,828   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz'
2025-08-31T09:31:08,830   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz'
2025-08-31T09:31:08,832   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz'
2025-08-31T09:31:08,833   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz'
2025-08-31T09:31:08,835   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz'
2025-08-31T09:31:08,836   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz'
2025-08-31T09:31:08,838   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz'
2025-08-31T09:31:08,839   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz'
2025-08-31T09:31:08,841   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz'
2025-08-31T09:31:08,843   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz'
2025-08-31T09:31:08,844   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz'
2025-08-31T09:31:08,846   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz'
2025-08-31T09:31:08,847   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz'
2025-08-31T09:31:08,849   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz'
2025-08-31T09:31:08,851   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz'
2025-08-31T09:31:08,852   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz'
2025-08-31T09:31:08,854   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz'
2025-08-31T09:31:08,855   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz'
2025-08-31T09:31:08,857   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz'
2025-08-31T09:31:08,859   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz'
2025-08-31T09:31:08,860   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz'
2025-08-31T09:31:08,862   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz'
2025-08-31T09:31:08,864   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz'
2025-08-31T09:31:08,865   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz'
2025-08-31T09:31:08,867   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz'
2025-08-31T09:31:08,868   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz'
2025-08-31T09:31:08,870   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz'
2025-08-31T09:31:08,872   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz'
2025-08-31T09:31:08,873   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz'
2025-08-31T09:31:08,875   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz'
2025-08-31T09:31:08,877   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz'
2025-08-31T09:31:08,878   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz'
2025-08-31T09:31:08,880   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz'
2025-08-31T09:31:08,882   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz'
2025-08-31T09:31:08,884   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz'
2025-08-31T09:31:08,885   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz'
2025-08-31T09:31:08,887   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz'
2025-08-31T09:31:08,889   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz'
2025-08-31T09:31:08,891   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz'
2025-08-31T09:31:08,893   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz'
2025-08-31T09:31:08,894   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz'
2025-08-31T09:31:08,896   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz'
2025-08-31T09:31:08,898   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz'
2025-08-31T09:31:08,900   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz'
2025-08-31T09:31:08,902   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz'
2025-08-31T09:31:08,903   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz'
2025-08-31T09:31:08,905   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz'
2025-08-31T09:31:08,907   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz'
2025-08-31T09:31:08,908   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz'
2025-08-31T09:31:08,910   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz'
2025-08-31T09:31:08,912   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz'
2025-08-31T09:31:08,913   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz'
2025-08-31T09:31:08,915   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz'
2025-08-31T09:31:08,916   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz'
2025-08-31T09:31:08,918   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz'
2025-08-31T09:31:08,920   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz'
2025-08-31T09:31:08,921   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz'
2025-08-31T09:31:08,923   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz'
2025-08-31T09:31:08,924   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz'
2025-08-31T09:31:08,926   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz'
2025-08-31T09:31:08,928   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz'
2025-08-31T09:31:08,930   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz'
2025-08-31T09:31:08,931   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz'
2025-08-31T09:31:08,933   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz'
2025-08-31T09:31:08,935   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz'
2025-08-31T09:31:08,936   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz'
2025-08-31T09:31:08,938   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz'
2025-08-31T09:31:08,939   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz'
2025-08-31T09:31:08,941   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz'
2025-08-31T09:31:08,942   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz'
2025-08-31T09:31:08,944   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz'
2025-08-31T09:31:08,945   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz'
2025-08-31T09:31:08,948   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz'
2025-08-31T09:31:08,950   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz'
2025-08-31T09:31:08,952   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz'
2025-08-31T09:31:08,954   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz'
2025-08-31T09:31:08,956   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz'
2025-08-31T09:31:08,958   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz'
2025-08-31T09:31:08,959   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz'
2025-08-31T09:31:08,961   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz'
2025-08-31T09:31:08,963   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz'
2025-08-31T09:31:08,965   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz'
2025-08-31T09:31:08,967   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz'
2025-08-31T09:31:08,969   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz'
2025-08-31T09:31:08,970   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz'
2025-08-31T09:31:08,972   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz'
2025-08-31T09:31:08,974   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz'
2025-08-31T09:31:08,976   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz'
2025-08-31T09:31:08,977   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz'
2025-08-31T09:31:08,979   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz'
2025-08-31T09:31:08,981   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz'
2025-08-31T09:31:08,983   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz'
2025-08-31T09:31:08,984   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz'
2025-08-31T09:31:08,986   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz'
2025-08-31T09:31:08,987   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz'
2025-08-31T09:31:08,989   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz'
2025-08-31T09:31:08,991   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz'
2025-08-31T09:31:08,992   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz'
2025-08-31T09:31:08,994   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz'
2025-08-31T09:31:08,996   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz'
2025-08-31T09:31:08,997   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz'
2025-08-31T09:31:08,999   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz'
2025-08-31T09:31:09,002   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz'
2025-08-31T09:31:09,003   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz'
2025-08-31T09:31:09,005   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz'
2025-08-31T09:31:09,006   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz'
2025-08-31T09:31:09,008   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz'
2025-08-31T09:31:09,010   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz'
2025-08-31T09:31:09,011   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz'
2025-08-31T09:31:09,013   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz'
2025-08-31T09:31:09,014   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz'
2025-08-31T09:31:09,016   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz'
2025-08-31T09:31:09,018   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz'
2025-08-31T09:31:09,019   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz'
2025-08-31T09:31:09,021   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz'
2025-08-31T09:31:09,023   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz'
2025-08-31T09:31:09,025   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz'
2025-08-31T09:31:09,027   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz'
2025-08-31T09:31:09,028   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz'
2025-08-31T09:31:09,030   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz'
2025-08-31T09:31:09,032   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz'
2025-08-31T09:31:09,034   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz'
2025-08-31T09:31:09,036   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz'
2025-08-31T09:31:09,038   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz'
2025-08-31T09:31:09,040   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz'
2025-08-31T09:31:09,041   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz'
2025-08-31T09:31:09,043   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz'
2025-08-31T09:31:09,045   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz'
2025-08-31T09:31:09,047   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz'
2025-08-31T09:31:09,051   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz'
2025-08-31T09:31:09,054   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz'
2025-08-31T09:31:09,056   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz'
2025-08-31T09:31:09,058   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz'
2025-08-31T09:31:09,060   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz'
2025-08-31T09:31:09,062   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz'
2025-08-31T09:31:09,063   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz'
2025-08-31T09:31:09,065   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz'
2025-08-31T09:31:09,067   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz'
2025-08-31T09:31:09,068   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz'
2025-08-31T09:31:09,070   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz'
2025-08-31T09:31:09,072   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz'
2025-08-31T09:31:09,073   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz'
2025-08-31T09:31:09,075   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz'
2025-08-31T09:31:09,077   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz'
2025-08-31T09:31:09,078   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz'
2025-08-31T09:31:09,080   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz'
2025-08-31T09:31:09,081   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz'
2025-08-31T09:31:09,083   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz'
2025-08-31T09:31:09,085   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz'
2025-08-31T09:31:09,086   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz'
2025-08-31T09:31:09,088   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz'
2025-08-31T09:31:09,090   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz'
2025-08-31T09:31:09,091   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz'
2025-08-31T09:31:09,093   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz'
2025-08-31T09:31:09,094   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz'
2025-08-31T09:31:09,096   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz'
2025-08-31T09:31:09,098   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz'
2025-08-31T09:31:09,100   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz'
2025-08-31T09:31:09,101   adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz'
2025-08-31T09:31:09,103   adding 'xcbm/Input_Scripts/calc_GMTKN55.py'
2025-08-31T09:31:09,104   adding 'xcbm/Input_Scripts/calc_MGCDB84.py'
2025-08-31T09:31:09,158   adding 'xcbm/MGCDB84_Dataset/DatasetEval.csv'
2025-08-31T09:31:09,165   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz'
2025-08-31T09:31:09,166   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz'
2025-08-31T09:31:09,167   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz'
2025-08-31T09:31:09,169   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz'
2025-08-31T09:31:09,170   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz'
2025-08-31T09:31:09,171   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz'
2025-08-31T09:31:09,172   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz'
2025-08-31T09:31:09,174   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz'
2025-08-31T09:31:09,184   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz'
2025-08-31T09:31:09,185   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz'
2025-08-31T09:31:09,187   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz'
2025-08-31T09:31:09,188   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz'
2025-08-31T09:31:09,189   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz'
2025-08-31T09:31:09,191   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz'
2025-08-31T09:31:09,192   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz'
2025-08-31T09:31:09,193   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz'
2025-08-31T09:31:09,195   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz'
2025-08-31T09:31:09,196   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz'
2025-08-31T09:31:09,197   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz'
2025-08-31T09:31:09,199   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz'
2025-08-31T09:31:09,200   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz'
2025-08-31T09:31:09,201   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz'
2025-08-31T09:31:09,203   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz'
2025-08-31T09:31:09,204   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz'
2025-08-31T09:31:09,205   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz'
2025-08-31T09:31:09,207   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz'
2025-08-31T09:31:09,208   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:31:09,210   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:31:09,211   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:31:09,212   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:31:09,213   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:31:09,214   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:31:09,216   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:31:09,217   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:31:09,218   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:31:09,219   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:31:09,221   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:31:09,222   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:31:09,223   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:31:09,224   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:31:09,226   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:31:09,227   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:31:09,228   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:31:09,229   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:31:09,231   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:31:09,233   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:31:09,236   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:31:09,237   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:31:09,238   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:31:09,240   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:31:09,241   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:31:09,242   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:31:09,243   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:31:09,245   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:31:09,246   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:31:09,247   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:31:09,249   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:31:09,250   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:31:09,251   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:31:09,252   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:31:09,254   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:31:09,255   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:31:09,256   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:31:09,257   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:31:09,259   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:31:09,260   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:31:09,261   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:31:09,262   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:31:09,264   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:31:09,265   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:31:09,266   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:31:09,268   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:31:09,269   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:31:09,270   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:31:09,271   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:31:09,273   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:31:09,274   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:31:09,275   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:31:09,276   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:31:09,277   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:31:09,279   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:31:09,280   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:31:09,281   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:31:09,282   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz'
2025-08-31T09:31:09,283   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz'
2025-08-31T09:31:09,285   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz'
2025-08-31T09:31:09,286   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:31:09,287   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:31:09,288   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:31:09,290   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz'
2025-08-31T09:31:09,291   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz'
2025-08-31T09:31:09,292   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz'
2025-08-31T09:31:09,293   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:31:09,294   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:31:09,296   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:31:09,297   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz'
2025-08-31T09:31:09,298   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz'
2025-08-31T09:31:09,299   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz'
2025-08-31T09:31:09,301   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:09,302   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:09,303   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:09,305   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,306   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,307   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,309   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:09,310   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:09,312   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:09,313   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,314   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,315   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,316   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:09,318   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:09,320   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:09,322   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,323   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,325   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,326   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:09,328   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:09,329   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:09,330   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,332   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,334   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,336   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:09,337   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:09,339   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:09,341   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,343   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,345   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,346   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:09,348   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:09,350   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:09,351   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,353   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,355   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,356   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:31:09,358   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:31:09,360   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:31:09,361   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:31:09,363   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:31:09,364   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:31:09,366   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:31:09,368   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:31:09,369   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:31:09,371   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:31:09,372   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:31:09,374   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:31:09,376   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:31:09,378   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:31:09,379   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:31:09,380   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:31:09,382   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:31:09,383   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:31:09,384   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:09,385   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:09,387   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:09,388   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,389   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,390   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,392   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:09,393   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:09,394   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:09,396   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,397   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,399   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,400   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:09,402   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:09,403   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:09,405   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,406   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,407   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,409   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:31:09,410   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:31:09,411   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:31:09,413   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz'
2025-08-31T09:31:09,414   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz'
2025-08-31T09:31:09,415   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz'
2025-08-31T09:31:09,417   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:31:09,418   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:31:09,420   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:31:09,421   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz'
2025-08-31T09:31:09,422   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz'
2025-08-31T09:31:09,424   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz'
2025-08-31T09:31:09,425   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:31:09,427   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:31:09,428   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:31:09,430   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz'
2025-08-31T09:31:09,431   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz'
2025-08-31T09:31:09,433   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz'
2025-08-31T09:31:09,434   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:31:09,435   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:31:09,436   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:31:09,438   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz'
2025-08-31T09:31:09,439   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz'
2025-08-31T09:31:09,440   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz'
2025-08-31T09:31:09,442   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:31:09,443   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:31:09,444   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:31:09,445   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz'
2025-08-31T09:31:09,447   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz'
2025-08-31T09:31:09,448   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz'
2025-08-31T09:31:09,449   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:31:09,451   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:31:09,452   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:31:09,453   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz'
2025-08-31T09:31:09,455   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz'
2025-08-31T09:31:09,456   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz'
2025-08-31T09:31:09,457   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:31:09,459   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:31:09,460   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:31:09,461   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz'
2025-08-31T09:31:09,462   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz'
2025-08-31T09:31:09,464   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz'
2025-08-31T09:31:09,465   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:31:09,466   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:31:09,468   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:31:09,469   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz'
2025-08-31T09:31:09,470   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz'
2025-08-31T09:31:09,472   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz'
2025-08-31T09:31:09,473   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:31:09,475   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:31:09,476   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:31:09,477   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz'
2025-08-31T09:31:09,479   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz'
2025-08-31T09:31:09,480   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz'
2025-08-31T09:31:09,481   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz'
2025-08-31T09:31:09,482   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz'
2025-08-31T09:31:09,484   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz'
2025-08-31T09:31:09,485   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz'
2025-08-31T09:31:09,486   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz'
2025-08-31T09:31:09,487   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz'
2025-08-31T09:31:09,488   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz'
2025-08-31T09:31:09,490   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz'
2025-08-31T09:31:09,491   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz'
2025-08-31T09:31:09,492   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz'
2025-08-31T09:31:09,494   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz'
2025-08-31T09:31:09,495   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz'
2025-08-31T09:31:09,496   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz'
2025-08-31T09:31:09,497   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz'
2025-08-31T09:31:09,499   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz'
2025-08-31T09:31:09,500   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz'
2025-08-31T09:31:09,501   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz'
2025-08-31T09:31:09,502   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz'
2025-08-31T09:31:09,504   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:09,505   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:09,506   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:09,507   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,509   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,510   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,511   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:09,513   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:09,514   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:09,515   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,516   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,518   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,519   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:09,521   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:09,522   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:09,523   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,525   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,526   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,527   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:31:09,528   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:31:09,530   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:31:09,531   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:31:09,532   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:31:09,533   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:31:09,535   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:31:09,536   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:31:09,537   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:31:09,539   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:31:09,540   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:31:09,541   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:31:09,542   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:31:09,544   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:31:09,545   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:31:09,546   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:31:09,547   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:31:09,549   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:31:09,550   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:31:09,551   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:31:09,553   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:31:09,554   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:31:09,555   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:31:09,556   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:31:09,558   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:31:09,559   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:31:09,560   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:31:09,561   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:31:09,563   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:31:09,564   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:31:09,565   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:31:09,567   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:31:09,568   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:31:09,569   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:31:09,571   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:31:09,572   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:31:09,573   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:31:09,575   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:31:09,576   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:31:09,577   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:31:09,578   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:31:09,579   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:31:09,581   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:31:09,582   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:31:09,583   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:31:09,584   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:31:09,586   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:31:09,587   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:31:09,588   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:31:09,590   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:31:09,591   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:31:09,592   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:31:09,593   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:31:09,595   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:31:09,596   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:31:09,597   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:31:09,599   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:31:09,600   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:31:09,601   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:31:09,602   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:31:09,604   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:31:09,605   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:31:09,606   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:31:09,608   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:31:09,609   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:31:09,610   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:31:09,611   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:31:09,613   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:31:09,614   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:31:09,615   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:31:09,617   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:31:09,618   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:31:09,619   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz'
2025-08-31T09:31:09,621   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz'
2025-08-31T09:31:09,622   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz'
2025-08-31T09:31:09,623   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz'
2025-08-31T09:31:09,625   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz'
2025-08-31T09:31:09,626   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz'
2025-08-31T09:31:09,627   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz'
2025-08-31T09:31:09,628   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz'
2025-08-31T09:31:09,629   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz'
2025-08-31T09:31:09,631   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz'
2025-08-31T09:31:09,632   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz'
2025-08-31T09:31:09,633   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz'
2025-08-31T09:31:09,634   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz'
2025-08-31T09:31:09,636   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz'
2025-08-31T09:31:09,637   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz'
2025-08-31T09:31:09,638   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz'
2025-08-31T09:31:09,639   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz'
2025-08-31T09:31:09,641   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz'
2025-08-31T09:31:09,642   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:09,643   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:09,645   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:09,646   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,647   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,648   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,650   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:09,651   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:09,652   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:09,653   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,654   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,656   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,657   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:09,658   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:09,659   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:09,661   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,662   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,663   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,664   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:31:09,665   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:31:09,667   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:31:09,668   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:31:09,669   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:31:09,671   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:31:09,672   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:31:09,673   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:31:09,674   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:31:09,676   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:31:09,677   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:31:09,678   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:31:09,680   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:31:09,681   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:31:09,682   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:31:09,684   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:31:09,685   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:31:09,686   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:31:09,687   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz'
2025-08-31T09:31:09,689   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz'
2025-08-31T09:31:09,690   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz'
2025-08-31T09:31:09,691   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz'
2025-08-31T09:31:09,693   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz'
2025-08-31T09:31:09,694   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz'
2025-08-31T09:31:09,695   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz'
2025-08-31T09:31:09,696   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz'
2025-08-31T09:31:09,698   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz'
2025-08-31T09:31:09,699   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz'
2025-08-31T09:31:09,700   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz'
2025-08-31T09:31:09,702   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz'
2025-08-31T09:31:09,703   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz'
2025-08-31T09:31:09,704   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz'
2025-08-31T09:31:09,705   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz'
2025-08-31T09:31:09,707   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz'
2025-08-31T09:31:09,708   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz'
2025-08-31T09:31:09,709   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz'
2025-08-31T09:31:09,710   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:31:09,712   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:31:09,713   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:31:09,714   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:31:09,716   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:31:09,717   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:31:09,718   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:31:09,720   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:31:09,721   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:31:09,722   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:31:09,723   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:31:09,725   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:31:09,726   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:31:09,727   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:31:09,728   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:31:09,730   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:31:09,731   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:31:09,732   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:31:09,739   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz'
2025-08-31T09:31:09,740   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz'
2025-08-31T09:31:09,742   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz'
2025-08-31T09:31:09,743   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz'
2025-08-31T09:31:09,744   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz'
2025-08-31T09:31:09,745   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz'
2025-08-31T09:31:09,747   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz'
2025-08-31T09:31:09,748   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz'
2025-08-31T09:31:09,749   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz'
2025-08-31T09:31:09,750   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz'
2025-08-31T09:31:09,751   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz'
2025-08-31T09:31:09,752   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz'
2025-08-31T09:31:09,754   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:31:09,755   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:31:09,756   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:31:09,757   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:31:09,758   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:31:09,760   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:31:09,761   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:31:09,762   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:31:09,763   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:31:09,764   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:31:09,765   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:31:09,767   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:31:09,768   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:31:09,769   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:31:09,770   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:31:09,771   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:31:09,772   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:31:09,774   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:31:09,775   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:31:09,776   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:31:09,777   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:31:09,779   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:31:09,780   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:31:09,781   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:31:09,782   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:31:09,784   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:31:09,785   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:31:09,786   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:31:09,787   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:31:09,788   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:31:09,790   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:31:09,791   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:31:09,792   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:31:09,793   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:31:09,794   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:31:09,795   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:31:09,797   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz'
2025-08-31T09:31:09,798   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz'
2025-08-31T09:31:09,799   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz'
2025-08-31T09:31:09,800   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz'
2025-08-31T09:31:09,801   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz'
2025-08-31T09:31:09,802   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz'
2025-08-31T09:31:09,804   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz'
2025-08-31T09:31:09,805   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz'
2025-08-31T09:31:09,806   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz'
2025-08-31T09:31:09,807   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz'
2025-08-31T09:31:09,809   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz'
2025-08-31T09:31:09,810   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz'
2025-08-31T09:31:09,811   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,812   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,813   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,815   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:31:09,816   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,817   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,819   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,820   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:31:09,821   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,822   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,824   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,825   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:31:09,826   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,827   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,829   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,830   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:31:09,831   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,832   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,833   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,835   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:31:09,836   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:31:09,837   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:31:09,839   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:31:09,840   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:31:09,841   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:31:09,842   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:31:09,843   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:31:09,844   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:31:09,846   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:31:09,847   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:31:09,848   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:31:09,849   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:31:09,851   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:31:09,852   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:31:09,853   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:31:09,854   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:31:09,855   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,857   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,858   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,859   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz'
2025-08-31T09:31:09,860   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,862   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,863   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,864   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz'
2025-08-31T09:31:09,865   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,867   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,868   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,869   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz'
2025-08-31T09:31:09,870   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz'
2025-08-31T09:31:09,872   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz'
2025-08-31T09:31:09,873   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz'
2025-08-31T09:31:09,874   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz'
2025-08-31T09:31:09,875   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz'
2025-08-31T09:31:09,877   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz'
2025-08-31T09:31:09,878   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz'
2025-08-31T09:31:09,880   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz'
2025-08-31T09:31:09,881   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz'
2025-08-31T09:31:09,882   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz'
2025-08-31T09:31:09,883   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz'
2025-08-31T09:31:09,885   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz'
2025-08-31T09:31:09,886   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz'
2025-08-31T09:31:09,887   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz'
2025-08-31T09:31:09,888   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz'
2025-08-31T09:31:09,889   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz'
2025-08-31T09:31:09,891   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz'
2025-08-31T09:31:09,892   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz'
2025-08-31T09:31:09,893   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz'
2025-08-31T09:31:09,894   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz'
2025-08-31T09:31:09,895   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz'
2025-08-31T09:31:09,896   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz'
2025-08-31T09:31:09,898   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz'
2025-08-31T09:31:09,899   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz'
2025-08-31T09:31:09,900   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz'
2025-08-31T09:31:09,901   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz'
2025-08-31T09:31:09,903   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz'
2025-08-31T09:31:09,904   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz'
2025-08-31T09:31:09,905   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz'
2025-08-31T09:31:09,906   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz'
2025-08-31T09:31:09,907   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz'
2025-08-31T09:31:09,909   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz'
2025-08-31T09:31:09,910   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz'
2025-08-31T09:31:09,911   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz'
2025-08-31T09:31:09,913   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz'
2025-08-31T09:31:09,914   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz'
2025-08-31T09:31:09,915   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz'
2025-08-31T09:31:09,916   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz'
2025-08-31T09:31:09,917   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz'
2025-08-31T09:31:09,919   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz'
2025-08-31T09:31:09,920   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz'
2025-08-31T09:31:09,921   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz'
2025-08-31T09:31:09,923   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz'
2025-08-31T09:31:09,924   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz'
2025-08-31T09:31:09,925   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz'
2025-08-31T09:31:09,926   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz'
2025-08-31T09:31:09,928   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz'
2025-08-31T09:31:09,929   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz'
2025-08-31T09:31:09,930   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,932   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,933   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,934   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:31:09,935   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,936   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,937   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,939   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:31:09,940   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:31:09,941   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:31:09,942   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:31:09,944   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:31:09,945   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:31:09,946   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:31:09,947   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:31:09,948   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:31:09,950   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:31:09,951   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:31:09,952   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:31:09,953   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:31:09,955   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:31:09,956   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:31:09,957   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:31:09,958   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:31:09,960   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:31:09,961   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:31:09,962   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:31:09,963   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:31:09,965   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:31:09,966   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:31:09,967   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:31:09,969   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:31:09,970   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:31:09,971   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:31:09,972   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:31:09,974   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:31:09,975   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:31:09,976   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:31:09,978   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:31:09,979   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:31:09,980   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:31:09,981   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:31:09,982   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:31:09,984   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:31:09,985   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:31:09,986   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:31:09,987   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:31:09,989   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:31:09,990   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:31:09,991   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:31:09,992   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:31:09,994   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:31:09,995   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:31:09,996   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:31:09,997   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:31:09,999   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:31:10,000   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:31:10,001   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:31:10,002   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:31:10,004   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:31:10,005   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz'
2025-08-31T09:31:10,006   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz'
2025-08-31T09:31:10,007   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz'
2025-08-31T09:31:10,009   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz'
2025-08-31T09:31:10,010   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz'
2025-08-31T09:31:10,011   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz'
2025-08-31T09:31:10,013   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz'
2025-08-31T09:31:10,014   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz'
2025-08-31T09:31:10,015   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz'
2025-08-31T09:31:10,016   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz'
2025-08-31T09:31:10,018   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz'
2025-08-31T09:31:10,019   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz'
2025-08-31T09:31:10,020   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:31:10,021   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:31:10,023   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:31:10,024   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:31:10,025   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:31:10,026   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:31:10,028   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:31:10,029   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:31:10,030   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:31:10,031   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:31:10,032   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:31:10,034   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:31:10,035   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:31:10,036   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:31:10,037   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:31:10,039   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:31:10,040   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:31:10,041   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:31:10,042   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:31:10,044   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:31:10,045   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:31:10,046   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:31:10,047   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:31:10,049   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:31:10,050   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz'
2025-08-31T09:31:10,051   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz'
2025-08-31T09:31:10,053   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz'
2025-08-31T09:31:10,054   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz'
2025-08-31T09:31:10,055   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz'
2025-08-31T09:31:10,056   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz'
2025-08-31T09:31:10,058   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz'
2025-08-31T09:31:10,059   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz'
2025-08-31T09:31:10,060   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz'
2025-08-31T09:31:10,061   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz'
2025-08-31T09:31:10,063   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz'
2025-08-31T09:31:10,064   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz'
2025-08-31T09:31:10,065   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:31:10,067   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:31:10,068   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:31:10,069   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:31:10,071   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:31:10,072   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:31:10,073   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:31:10,074   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:31:10,076   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:31:10,077   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:31:10,078   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:31:10,079   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:31:10,087   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,088   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,090   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,091   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,092   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,093   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,094   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,096   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,097   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,098   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,099   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,101   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,102   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,103   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,104   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,106   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,107   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,108   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,109   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,111   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,112   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,113   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,114   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,115   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,117   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,118   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,119   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,120   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,122   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,123   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,124   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,125   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,126   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,127   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,128   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,130   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,131   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,132   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,133   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,134   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,135   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,136   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,138   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,139   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,140   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,141   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,142   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,143   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,144   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,146   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,147   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,148   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,149   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,150   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,151   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,153   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,154   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,155   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,156   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,157   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,159   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,160   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,161   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,162   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,163   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,165   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,166   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,167   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,168   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,169   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,170   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,172   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,173   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,174   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,175   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,176   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,177   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,178   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,179   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,181   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,182   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,183   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,184   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,185   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,186   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,188   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,189   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,190   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,191   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,192   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,194   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,195   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,196   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,197   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,198   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,200   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,201   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,202   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,204   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,205   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,206   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,207   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,208   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,210   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,211   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,212   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,213   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,214   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,215   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,216   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,218   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,219   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,220   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,221   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,222   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,223   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,225   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,226   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,227   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,228   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,230   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,231   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,232   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,233   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,235   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,236   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,237   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,238   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,240   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,241   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,242   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,243   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,245   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,246   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,247   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,249   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,250   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,251   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,253   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,254   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,256   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,257   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,258   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,259   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,261   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,262   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,263   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,264   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,265   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,266   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,268   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,269   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,270   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,271   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,273   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,274   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,275   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,276   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,277   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,279   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,280   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,281   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,282   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,284   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,285   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,286   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,287   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,289   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,290   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,291   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,293   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,294   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,296   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,297   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,299   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,300   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,301   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,303   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,304   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,305   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,306   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,307   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,308   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,309   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,311   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,312   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,313   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,314   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,315   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,316   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,318   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,319   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,320   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,321   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,322   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,324   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,325   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,326   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,327   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,329   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,330   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,331   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,332   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,334   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,335   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,336   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,337   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,339   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,340   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,341   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,342   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,344   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,345   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,346   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,347   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,349   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,350   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,351   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,352   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,354   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,355   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,356   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,358   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,359   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,360   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,362   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,363   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,364   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,365   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,367   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,368   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,369   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,370   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,372   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,373   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,374   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,375   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,376   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,378   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,379   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,380   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,381   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,383   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,384   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,385   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,386   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,387   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,389   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,390   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,391   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,392   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,394   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,395   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,396   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,397   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,398   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,399   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,401   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,402   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,403   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,404   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,405   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,406   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,407   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,409   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,410   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,411   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,412   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,413   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,414   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,416   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,417   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,418   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,419   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,421   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,422   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,423   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,424   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,426   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,427   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,428   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz'
2025-08-31T09:31:10,429   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz'
2025-08-31T09:31:10,430   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz'
2025-08-31T09:31:10,432   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz'
2025-08-31T09:31:10,433   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz'
2025-08-31T09:31:10,434   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz'
2025-08-31T09:31:10,435   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz'
2025-08-31T09:31:10,437   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz'
2025-08-31T09:31:10,438   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz'
2025-08-31T09:31:10,439   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz'
2025-08-31T09:31:10,441   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz'
2025-08-31T09:31:10,442   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz'
2025-08-31T09:31:10,443   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz'
2025-08-31T09:31:10,444   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz'
2025-08-31T09:31:10,447   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz'
2025-08-31T09:31:10,448   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz'
2025-08-31T09:31:10,450   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz'
2025-08-31T09:31:10,451   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz'
2025-08-31T09:31:10,452   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz'
2025-08-31T09:31:10,453   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz'
2025-08-31T09:31:10,455   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz'
2025-08-31T09:31:10,456   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz'
2025-08-31T09:31:10,457   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz'
2025-08-31T09:31:10,458   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz'
2025-08-31T09:31:10,459   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz'
2025-08-31T09:31:10,461   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz'
2025-08-31T09:31:10,462   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz'
2025-08-31T09:31:10,463   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz'
2025-08-31T09:31:10,464   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz'
2025-08-31T09:31:10,465   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz'
2025-08-31T09:31:10,467   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz'
2025-08-31T09:31:10,468   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz'
2025-08-31T09:31:10,469   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz'
2025-08-31T09:31:10,470   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz'
2025-08-31T09:31:10,471   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz'
2025-08-31T09:31:10,472   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz'
2025-08-31T09:31:10,474   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz'
2025-08-31T09:31:10,475   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz'
2025-08-31T09:31:10,476   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz'
2025-08-31T09:31:10,477   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz'
2025-08-31T09:31:10,478   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz'
2025-08-31T09:31:10,480   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz'
2025-08-31T09:31:10,481   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz'
2025-08-31T09:31:10,482   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz'
2025-08-31T09:31:10,484   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz'
2025-08-31T09:31:10,485   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz'
2025-08-31T09:31:10,486   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz'
2025-08-31T09:31:10,487   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz'
2025-08-31T09:31:10,489   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz'
2025-08-31T09:31:10,490   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz'
2025-08-31T09:31:10,491   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz'
2025-08-31T09:31:10,492   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz'
2025-08-31T09:31:10,493   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz'
2025-08-31T09:31:10,495   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz'
2025-08-31T09:31:10,496   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz'
2025-08-31T09:31:10,497   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz'
2025-08-31T09:31:10,498   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz'
2025-08-31T09:31:10,499   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz'
2025-08-31T09:31:10,500   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz'
2025-08-31T09:31:10,502   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz'
2025-08-31T09:31:10,503   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz'
2025-08-31T09:31:10,504   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz'
2025-08-31T09:31:10,505   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz'
2025-08-31T09:31:10,506   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz'
2025-08-31T09:31:10,507   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz'
2025-08-31T09:31:10,509   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz'
2025-08-31T09:31:10,510   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz'
2025-08-31T09:31:10,511   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz'
2025-08-31T09:31:10,512   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz'
2025-08-31T09:31:10,514   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz'
2025-08-31T09:31:10,515   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz'
2025-08-31T09:31:10,516   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz'
2025-08-31T09:31:10,517   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz'
2025-08-31T09:31:10,518   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz'
2025-08-31T09:31:10,520   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz'
2025-08-31T09:31:10,521   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz'
2025-08-31T09:31:10,522   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz'
2025-08-31T09:31:10,523   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz'
2025-08-31T09:31:10,525   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz'
2025-08-31T09:31:10,526   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz'
2025-08-31T09:31:10,527   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz'
2025-08-31T09:31:10,528   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz'
2025-08-31T09:31:10,530   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz'
2025-08-31T09:31:10,531   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz'
2025-08-31T09:31:10,532   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz'
2025-08-31T09:31:10,533   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz'
2025-08-31T09:31:10,538   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz'
2025-08-31T09:31:10,539   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz'
2025-08-31T09:31:10,541   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz'
2025-08-31T09:31:10,544   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz'
2025-08-31T09:31:10,545   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz'
2025-08-31T09:31:10,547   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz'
2025-08-31T09:31:10,548   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz'
2025-08-31T09:31:10,549   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz'
2025-08-31T09:31:10,550   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz'
2025-08-31T09:31:10,551   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz'
2025-08-31T09:31:10,553   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz'
2025-08-31T09:31:10,554   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz'
2025-08-31T09:31:10,555   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz'
2025-08-31T09:31:10,557   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz'
2025-08-31T09:31:10,558   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz'
2025-08-31T09:31:10,559   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz'
2025-08-31T09:31:10,561   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz'
2025-08-31T09:31:10,562   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz'
2025-08-31T09:31:10,564   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz'
2025-08-31T09:31:10,565   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz'
2025-08-31T09:31:10,567   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz'
2025-08-31T09:31:10,568   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz'
2025-08-31T09:31:10,569   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz'
2025-08-31T09:31:10,570   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz'
2025-08-31T09:31:10,572   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz'
2025-08-31T09:31:10,573   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz'
2025-08-31T09:31:10,574   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz'
2025-08-31T09:31:10,575   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz'
2025-08-31T09:31:10,576   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz'
2025-08-31T09:31:10,577   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz'
2025-08-31T09:31:10,578   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz'
2025-08-31T09:31:10,580   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz'
2025-08-31T09:31:10,581   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz'
2025-08-31T09:31:10,582   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz'
2025-08-31T09:31:10,583   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz'
2025-08-31T09:31:10,584   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz'
2025-08-31T09:31:10,586   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz'
2025-08-31T09:31:10,587   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz'
2025-08-31T09:31:10,589   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz'
2025-08-31T09:31:10,590   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz'
2025-08-31T09:31:10,591   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz'
2025-08-31T09:31:10,592   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz'
2025-08-31T09:31:10,594   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz'
2025-08-31T09:31:10,595   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz'
2025-08-31T09:31:10,596   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz'
2025-08-31T09:31:10,597   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz'
2025-08-31T09:31:10,599   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz'
2025-08-31T09:31:10,600   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz'
2025-08-31T09:31:10,601   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz'
2025-08-31T09:31:10,602   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz'
2025-08-31T09:31:10,604   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz'
2025-08-31T09:31:10,605   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz'
2025-08-31T09:31:10,606   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz'
2025-08-31T09:31:10,607   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz'
2025-08-31T09:31:10,608   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz'
2025-08-31T09:31:10,609   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz'
2025-08-31T09:31:10,611   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz'
2025-08-31T09:31:10,613   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz'
2025-08-31T09:31:10,614   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz'
2025-08-31T09:31:10,615   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz'
2025-08-31T09:31:10,617   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz'
2025-08-31T09:31:10,618   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz'
2025-08-31T09:31:10,619   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz'
2025-08-31T09:31:10,620   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz'
2025-08-31T09:31:10,622   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz'
2025-08-31T09:31:10,623   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz'
2025-08-31T09:31:10,624   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz'
2025-08-31T09:31:10,625   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz'
2025-08-31T09:31:10,627   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz'
2025-08-31T09:31:10,628   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz'
2025-08-31T09:31:10,629   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz'
2025-08-31T09:31:10,630   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz'
2025-08-31T09:31:10,632   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz'
2025-08-31T09:31:10,633   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz'
2025-08-31T09:31:10,634   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz'
2025-08-31T09:31:10,636   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz'
2025-08-31T09:31:10,637   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz'
2025-08-31T09:31:10,638   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz'
2025-08-31T09:31:10,640   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz'
2025-08-31T09:31:10,641   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz'
2025-08-31T09:31:10,642   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz'
2025-08-31T09:31:10,643   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz'
2025-08-31T09:31:10,645   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz'
2025-08-31T09:31:10,646   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz'
2025-08-31T09:31:10,647   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz'
2025-08-31T09:31:10,649   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz'
2025-08-31T09:31:10,650   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz'
2025-08-31T09:31:10,651   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz'
2025-08-31T09:31:10,652   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz'
2025-08-31T09:31:10,653   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz'
2025-08-31T09:31:10,654   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz'
2025-08-31T09:31:10,656   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz'
2025-08-31T09:31:10,657   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz'
2025-08-31T09:31:10,659   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz'
2025-08-31T09:31:10,660   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz'
2025-08-31T09:31:10,661   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz'
2025-08-31T09:31:10,662   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz'
2025-08-31T09:31:10,663   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz'
2025-08-31T09:31:10,665   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz'
2025-08-31T09:31:10,666   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz'
2025-08-31T09:31:10,667   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz'
2025-08-31T09:31:10,668   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz'
2025-08-31T09:31:10,670   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz'
2025-08-31T09:31:10,671   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz'
2025-08-31T09:31:10,672   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz'
2025-08-31T09:31:10,674   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz'
2025-08-31T09:31:10,675   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz'
2025-08-31T09:31:10,676   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz'
2025-08-31T09:31:10,677   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz'
2025-08-31T09:31:10,679   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz'
2025-08-31T09:31:10,680   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz'
2025-08-31T09:31:10,682   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz'
2025-08-31T09:31:10,683   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz'
2025-08-31T09:31:10,684   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz'
2025-08-31T09:31:10,685   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz'
2025-08-31T09:31:10,687   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz'
2025-08-31T09:31:10,688   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz'
2025-08-31T09:31:10,689   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz'
2025-08-31T09:31:10,691   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz'
2025-08-31T09:31:10,692   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz'
2025-08-31T09:31:10,693   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz'
2025-08-31T09:31:10,694   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz'
2025-08-31T09:31:10,696   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz'
2025-08-31T09:31:10,697   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz'
2025-08-31T09:31:10,698   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz'
2025-08-31T09:31:10,702   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz'
2025-08-31T09:31:10,703   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz'
2025-08-31T09:31:10,704   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz'
2025-08-31T09:31:10,705   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz'
2025-08-31T09:31:10,706   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz'
2025-08-31T09:31:10,707   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz'
2025-08-31T09:31:10,708   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz'
2025-08-31T09:31:10,709   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz'
2025-08-31T09:31:10,710   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz'
2025-08-31T09:31:10,712   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz'
2025-08-31T09:31:10,713   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz'
2025-08-31T09:31:10,714   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz'
2025-08-31T09:31:10,715   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz'
2025-08-31T09:31:10,716   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz'
2025-08-31T09:31:10,717   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz'
2025-08-31T09:31:10,719   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz'
2025-08-31T09:31:10,720   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz'
2025-08-31T09:31:10,721   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz'
2025-08-31T09:31:10,722   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz'
2025-08-31T09:31:10,723   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz'
2025-08-31T09:31:10,724   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz'
2025-08-31T09:31:10,725   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz'
2025-08-31T09:31:10,727   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz'
2025-08-31T09:31:10,728   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz'
2025-08-31T09:31:10,729   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz'
2025-08-31T09:31:10,730   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz'
2025-08-31T09:31:10,731   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz'
2025-08-31T09:31:10,732   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz'
2025-08-31T09:31:10,734   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz'
2025-08-31T09:31:10,735   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz'
2025-08-31T09:31:10,736   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz'
2025-08-31T09:31:10,737   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz'
2025-08-31T09:31:10,738   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz'
2025-08-31T09:31:10,739   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz'
2025-08-31T09:31:10,741   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz'
2025-08-31T09:31:10,742   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz'
2025-08-31T09:31:10,743   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz'
2025-08-31T09:31:10,744   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz'
2025-08-31T09:31:10,745   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz'
2025-08-31T09:31:10,746   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz'
2025-08-31T09:31:10,748   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz'
2025-08-31T09:31:10,749   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz'
2025-08-31T09:31:10,750   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz'
2025-08-31T09:31:10,751   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz'
2025-08-31T09:31:10,752   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz'
2025-08-31T09:31:10,754   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz'
2025-08-31T09:31:10,755   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz'
2025-08-31T09:31:10,756   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz'
2025-08-31T09:31:10,757   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz'
2025-08-31T09:31:10,758   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz'
2025-08-31T09:31:10,759   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz'
2025-08-31T09:31:10,760   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz'
2025-08-31T09:31:10,762   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz'
2025-08-31T09:31:10,763   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz'
2025-08-31T09:31:10,764   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz'
2025-08-31T09:31:10,765   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz'
2025-08-31T09:31:10,766   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz'
2025-08-31T09:31:10,767   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz'
2025-08-31T09:31:10,768   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz'
2025-08-31T09:31:10,770   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz'
2025-08-31T09:31:10,771   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz'
2025-08-31T09:31:10,772   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz'
2025-08-31T09:31:10,773   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz'
2025-08-31T09:31:10,774   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz'
2025-08-31T09:31:10,775   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz'
2025-08-31T09:31:10,777   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz'
2025-08-31T09:31:10,778   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz'
2025-08-31T09:31:10,779   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz'
2025-08-31T09:31:10,780   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz'
2025-08-31T09:31:10,781   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz'
2025-08-31T09:31:10,783   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz'
2025-08-31T09:31:10,784   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz'
2025-08-31T09:31:10,785   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz'
2025-08-31T09:31:10,786   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz'
2025-08-31T09:31:10,787   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz'
2025-08-31T09:31:10,788   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz'
2025-08-31T09:31:10,790   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz'
2025-08-31T09:31:10,791   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz'
2025-08-31T09:31:10,792   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz'
2025-08-31T09:31:10,793   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz'
2025-08-31T09:31:10,794   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz'
2025-08-31T09:31:10,795   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz'
2025-08-31T09:31:10,797   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz'
2025-08-31T09:31:10,798   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz'
2025-08-31T09:31:10,799   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz'
2025-08-31T09:31:10,800   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz'
2025-08-31T09:31:10,801   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz'
2025-08-31T09:31:10,803   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz'
2025-08-31T09:31:10,804   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz'
2025-08-31T09:31:10,805   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz'
2025-08-31T09:31:10,806   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz'
2025-08-31T09:31:10,807   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz'
2025-08-31T09:31:10,808   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz'
2025-08-31T09:31:10,809   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz'
2025-08-31T09:31:10,810   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz'
2025-08-31T09:31:10,812   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz'
2025-08-31T09:31:10,813   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz'
2025-08-31T09:31:10,815   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz'
2025-08-31T09:31:10,816   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz'
2025-08-31T09:31:10,817   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz'
2025-08-31T09:31:10,819   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz'
2025-08-31T09:31:10,820   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz'
2025-08-31T09:31:10,821   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz'
2025-08-31T09:31:10,822   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz'
2025-08-31T09:31:10,824   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz'
2025-08-31T09:31:10,825   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz'
2025-08-31T09:31:10,826   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz'
2025-08-31T09:31:10,827   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz'
2025-08-31T09:31:10,828   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz'
2025-08-31T09:31:10,829   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz'
2025-08-31T09:31:10,830   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz'
2025-08-31T09:31:10,832   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz'
2025-08-31T09:31:10,833   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz'
2025-08-31T09:31:10,834   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz'
2025-08-31T09:31:10,835   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz'
2025-08-31T09:31:10,836   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz'
2025-08-31T09:31:10,837   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz'
2025-08-31T09:31:10,838   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz'
2025-08-31T09:31:10,840   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz'
2025-08-31T09:31:10,841   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz'
2025-08-31T09:31:10,842   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz'
2025-08-31T09:31:10,843   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz'
2025-08-31T09:31:10,844   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz'
2025-08-31T09:31:10,846   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz'
2025-08-31T09:31:10,847   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz'
2025-08-31T09:31:10,848   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz'
2025-08-31T09:31:10,849   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz'
2025-08-31T09:31:10,850   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz'
2025-08-31T09:31:10,851   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz'
2025-08-31T09:31:10,853   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz'
2025-08-31T09:31:10,854   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz'
2025-08-31T09:31:10,855   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz'
2025-08-31T09:31:10,856   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz'
2025-08-31T09:31:10,857   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz'
2025-08-31T09:31:10,859   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz'
2025-08-31T09:31:10,860   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz'
2025-08-31T09:31:10,861   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz'
2025-08-31T09:31:10,862   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz'
2025-08-31T09:31:10,863   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz'
2025-08-31T09:31:10,864   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz'
2025-08-31T09:31:10,865   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz'
2025-08-31T09:31:10,866   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz'
2025-08-31T09:31:10,867   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz'
2025-08-31T09:31:10,869   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz'
2025-08-31T09:31:10,870   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz'
2025-08-31T09:31:10,872   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz'
2025-08-31T09:31:10,873   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz'
2025-08-31T09:31:10,875   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz'
2025-08-31T09:31:10,876   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz'
2025-08-31T09:31:10,877   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz'
2025-08-31T09:31:10,878   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz'
2025-08-31T09:31:10,879   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz'
2025-08-31T09:31:10,881   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz'
2025-08-31T09:31:10,882   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz'
2025-08-31T09:31:10,883   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz'
2025-08-31T09:31:10,884   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz'
2025-08-31T09:31:10,885   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz'
2025-08-31T09:31:10,887   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz'
2025-08-31T09:31:10,888   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz'
2025-08-31T09:31:10,889   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz'
2025-08-31T09:31:10,890   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz'
2025-08-31T09:31:10,892   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz'
2025-08-31T09:31:10,893   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz'
2025-08-31T09:31:10,894   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz'
2025-08-31T09:31:10,895   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz'
2025-08-31T09:31:10,896   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz'
2025-08-31T09:31:10,898   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz'
2025-08-31T09:31:10,899   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz'
2025-08-31T09:31:10,900   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz'
2025-08-31T09:31:10,901   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz'
2025-08-31T09:31:10,903   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz'
2025-08-31T09:31:10,904   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz'
2025-08-31T09:31:10,905   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz'
2025-08-31T09:31:10,906   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz'
2025-08-31T09:31:10,908   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz'
2025-08-31T09:31:10,909   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz'
2025-08-31T09:31:10,910   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz'
2025-08-31T09:31:10,912   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz'
2025-08-31T09:31:10,913   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz'
2025-08-31T09:31:10,914   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz'
2025-08-31T09:31:10,915   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz'
2025-08-31T09:31:10,916   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz'
2025-08-31T09:31:10,917   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz'
2025-08-31T09:31:10,919   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz'
2025-08-31T09:31:10,920   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz'
2025-08-31T09:31:10,921   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz'
2025-08-31T09:31:10,922   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz'
2025-08-31T09:31:10,923   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz'
2025-08-31T09:31:10,924   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz'
2025-08-31T09:31:10,926   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz'
2025-08-31T09:31:10,927   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz'
2025-08-31T09:31:10,928   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz'
2025-08-31T09:31:10,929   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz'
2025-08-31T09:31:10,930   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz'
2025-08-31T09:31:10,932   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz'
2025-08-31T09:31:10,933   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz'
2025-08-31T09:31:10,934   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz'
2025-08-31T09:31:10,937   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz'
2025-08-31T09:31:10,938   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz'
2025-08-31T09:31:10,939   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz'
2025-08-31T09:31:10,940   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz'
2025-08-31T09:31:10,941   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz'
2025-08-31T09:31:10,943   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz'
2025-08-31T09:31:10,944   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz'
2025-08-31T09:31:10,945   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz'
2025-08-31T09:31:10,946   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz'
2025-08-31T09:31:10,948   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz'
2025-08-31T09:31:10,949   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz'
2025-08-31T09:31:10,950   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz'
2025-08-31T09:31:10,952   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz'
2025-08-31T09:31:10,953   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz'
2025-08-31T09:31:10,954   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz'
2025-08-31T09:31:10,955   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz'
2025-08-31T09:31:10,957   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz'
2025-08-31T09:31:10,958   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz'
2025-08-31T09:31:10,959   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz'
2025-08-31T09:31:10,960   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz'
2025-08-31T09:31:10,962   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz'
2025-08-31T09:31:10,963   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz'
2025-08-31T09:31:10,964   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz'
2025-08-31T09:31:10,966   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz'
2025-08-31T09:31:10,967   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz'
2025-08-31T09:31:10,968   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz'
2025-08-31T09:31:10,969   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz'
2025-08-31T09:31:10,970   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz'
2025-08-31T09:31:10,971   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz'
2025-08-31T09:31:10,973   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz'
2025-08-31T09:31:10,974   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz'
2025-08-31T09:31:10,975   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz'
2025-08-31T09:31:10,976   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz'
2025-08-31T09:31:10,977   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz'
2025-08-31T09:31:10,979   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz'
2025-08-31T09:31:10,980   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz'
2025-08-31T09:31:10,981   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz'
2025-08-31T09:31:10,982   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz'
2025-08-31T09:31:10,986   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz'
2025-08-31T09:31:10,987   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz'
2025-08-31T09:31:10,988   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz'
2025-08-31T09:31:10,989   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz'
2025-08-31T09:31:10,990   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz'
2025-08-31T09:31:10,991   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz'
2025-08-31T09:31:10,993   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz'
2025-08-31T09:31:10,994   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz'
2025-08-31T09:31:10,995   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz'
2025-08-31T09:31:10,996   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz'
2025-08-31T09:31:10,997   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz'
2025-08-31T09:31:10,998   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz'
2025-08-31T09:31:11,000   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz'
2025-08-31T09:31:11,001   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz'
2025-08-31T09:31:11,002   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz'
2025-08-31T09:31:11,003   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz'
2025-08-31T09:31:11,004   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz'
2025-08-31T09:31:11,006   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz'
2025-08-31T09:31:11,007   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,008   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,009   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,010   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,012   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,013   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,014   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,015   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,016   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,018   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,019   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,020   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,021   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,022   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,023   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,024   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,025   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,027   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,028   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,031   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,033   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,035   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,036   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,038   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,039   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,040   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,042   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,043   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,044   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,045   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,047   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,048   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,049   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,050   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz'
2025-08-31T09:31:11,052   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz'
2025-08-31T09:31:11,053   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz'
2025-08-31T09:31:11,054   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,056   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,057   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,058   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,059   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,061   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,062   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,063   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,065   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,066   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,067   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,068   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,070   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,071   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,072   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,073   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,074   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,075   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,076   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,078   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,079   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,080   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,081   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,082   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,084   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,085   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,086   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,087   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,088   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,090   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,091   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,092   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,093   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,095   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz'
2025-08-31T09:31:11,096   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz'
2025-08-31T09:31:11,097   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz'
2025-08-31T09:31:11,101   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz'
2025-08-31T09:31:11,102   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz'
2025-08-31T09:31:11,104   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz'
2025-08-31T09:31:11,105   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz'
2025-08-31T09:31:11,106   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz'
2025-08-31T09:31:11,108   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz'
2025-08-31T09:31:11,109   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz'
2025-08-31T09:31:11,110   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz'
2025-08-31T09:31:11,112   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz'
2025-08-31T09:31:11,113   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz'
2025-08-31T09:31:11,114   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz'
2025-08-31T09:31:11,116   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz'
2025-08-31T09:31:11,117   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz'
2025-08-31T09:31:11,118   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz'
2025-08-31T09:31:11,120   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz'
2025-08-31T09:31:11,121   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz'
2025-08-31T09:31:11,122   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz'
2025-08-31T09:31:11,124   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz'
2025-08-31T09:31:11,125   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz'
2025-08-31T09:31:11,126   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz'
2025-08-31T09:31:11,127   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz'
2025-08-31T09:31:11,128   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz'
2025-08-31T09:31:11,130   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz'
2025-08-31T09:31:11,131   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz'
2025-08-31T09:31:11,132   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz'
2025-08-31T09:31:11,133   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz'
2025-08-31T09:31:11,135   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz'
2025-08-31T09:31:11,136   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz'
2025-08-31T09:31:11,137   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz'
2025-08-31T09:31:11,138   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz'
2025-08-31T09:31:11,140   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz'
2025-08-31T09:31:11,141   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz'
2025-08-31T09:31:11,142   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz'
2025-08-31T09:31:11,143   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz'
2025-08-31T09:31:11,145   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz'
2025-08-31T09:31:11,146   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz'
2025-08-31T09:31:11,147   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz'
2025-08-31T09:31:11,148   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz'
2025-08-31T09:31:11,150   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz'
2025-08-31T09:31:11,151   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz'
2025-08-31T09:31:11,152   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz'
2025-08-31T09:31:11,153   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz'
2025-08-31T09:31:11,155   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz'
2025-08-31T09:31:11,156   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz'
2025-08-31T09:31:11,157   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz'
2025-08-31T09:31:11,159   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz'
2025-08-31T09:31:11,160   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz'
2025-08-31T09:31:11,161   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz'
2025-08-31T09:31:11,162   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz'
2025-08-31T09:31:11,164   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz'
2025-08-31T09:31:11,165   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz'
2025-08-31T09:31:11,166   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz'
2025-08-31T09:31:11,168   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz'
2025-08-31T09:31:11,169   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz'
2025-08-31T09:31:11,170   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz'
2025-08-31T09:31:11,172   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz'
2025-08-31T09:31:11,173   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz'
2025-08-31T09:31:11,174   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz'
2025-08-31T09:31:11,175   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz'
2025-08-31T09:31:11,177   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz'
2025-08-31T09:31:11,178   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz'
2025-08-31T09:31:11,179   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz'
2025-08-31T09:31:11,181   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz'
2025-08-31T09:31:11,182   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz'
2025-08-31T09:31:11,183   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz'
2025-08-31T09:31:11,190   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz'
2025-08-31T09:31:11,191   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz'
2025-08-31T09:31:11,192   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz'
2025-08-31T09:31:11,194   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz'
2025-08-31T09:31:11,195   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz'
2025-08-31T09:31:11,197   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz'
2025-08-31T09:31:11,199   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz'
2025-08-31T09:31:11,200   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz'
2025-08-31T09:31:11,201   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz'
2025-08-31T09:31:11,202   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz'
2025-08-31T09:31:11,203   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz'
2025-08-31T09:31:11,205   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz'
2025-08-31T09:31:11,206   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz'
2025-08-31T09:31:11,207   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz'
2025-08-31T09:31:11,209   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz'
2025-08-31T09:31:11,210   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz'
2025-08-31T09:31:11,211   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz'
2025-08-31T09:31:11,213   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz'
2025-08-31T09:31:11,214   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz'
2025-08-31T09:31:11,215   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz'
2025-08-31T09:31:11,217   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz'
2025-08-31T09:31:11,218   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz'
2025-08-31T09:31:11,220   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz'
2025-08-31T09:31:11,221   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz'
2025-08-31T09:31:11,222   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz'
2025-08-31T09:31:11,223   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz'
2025-08-31T09:31:11,225   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz'
2025-08-31T09:31:11,226   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz'
2025-08-31T09:31:11,227   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz'
2025-08-31T09:31:11,229   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz'
2025-08-31T09:31:11,230   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz'
2025-08-31T09:31:11,231   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz'
2025-08-31T09:31:11,232   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz'
2025-08-31T09:31:11,233   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz'
2025-08-31T09:31:11,234   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz'
2025-08-31T09:31:11,235   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz'
2025-08-31T09:31:11,236   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz'
2025-08-31T09:31:11,238   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz'
2025-08-31T09:31:11,239   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz'
2025-08-31T09:31:11,240   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz'
2025-08-31T09:31:11,241   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz'
2025-08-31T09:31:11,242   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz'
2025-08-31T09:31:11,244   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz'
2025-08-31T09:31:11,245   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz'
2025-08-31T09:31:11,246   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz'
2025-08-31T09:31:11,247   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz'
2025-08-31T09:31:11,248   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz'
2025-08-31T09:31:11,249   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz'
2025-08-31T09:31:11,251   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz'
2025-08-31T09:31:11,252   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz'
2025-08-31T09:31:11,253   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz'
2025-08-31T09:31:11,254   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz'
2025-08-31T09:31:11,255   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz'
2025-08-31T09:31:11,257   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz'
2025-08-31T09:31:11,258   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz'
2025-08-31T09:31:11,259   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz'
2025-08-31T09:31:11,260   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz'
2025-08-31T09:31:11,262   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz'
2025-08-31T09:31:11,263   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz'
2025-08-31T09:31:11,264   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz'
2025-08-31T09:31:11,265   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz'
2025-08-31T09:31:11,267   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz'
2025-08-31T09:31:11,268   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz'
2025-08-31T09:31:11,269   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz'
2025-08-31T09:31:11,270   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz'
2025-08-31T09:31:11,272   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz'
2025-08-31T09:31:11,273   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz'
2025-08-31T09:31:11,274   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz'
2025-08-31T09:31:11,275   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz'
2025-08-31T09:31:11,277   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz'
2025-08-31T09:31:11,278   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz'
2025-08-31T09:31:11,279   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz'
2025-08-31T09:31:11,280   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz'
2025-08-31T09:31:11,281   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz'
2025-08-31T09:31:11,282   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz'
2025-08-31T09:31:11,283   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz'
2025-08-31T09:31:11,285   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz'
2025-08-31T09:31:11,286   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz'
2025-08-31T09:31:11,287   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz'
2025-08-31T09:31:11,288   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz'
2025-08-31T09:31:11,290   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz'
2025-08-31T09:31:11,291   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz'
2025-08-31T09:31:11,292   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz'
2025-08-31T09:31:11,293   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz'
2025-08-31T09:31:11,295   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz'
2025-08-31T09:31:11,296   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz'
2025-08-31T09:31:11,297   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz'
2025-08-31T09:31:11,299   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz'
2025-08-31T09:31:11,300   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz'
2025-08-31T09:31:11,301   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz'
2025-08-31T09:31:11,302   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz'
2025-08-31T09:31:11,304   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz'
2025-08-31T09:31:11,305   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz'
2025-08-31T09:31:11,306   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz'
2025-08-31T09:31:11,307   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz'
2025-08-31T09:31:11,308   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz'
2025-08-31T09:31:11,310   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz'
2025-08-31T09:31:11,311   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz'
2025-08-31T09:31:11,312   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz'
2025-08-31T09:31:11,313   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz'
2025-08-31T09:31:11,315   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz'
2025-08-31T09:31:11,316   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz'
2025-08-31T09:31:11,317   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz'
2025-08-31T09:31:11,318   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz'
2025-08-31T09:31:11,320   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz'
2025-08-31T09:31:11,321   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz'
2025-08-31T09:31:11,322   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz'
2025-08-31T09:31:11,323   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz'
2025-08-31T09:31:11,324   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz'
2025-08-31T09:31:11,326   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz'
2025-08-31T09:31:11,331   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz'
2025-08-31T09:31:11,337   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz'
2025-08-31T09:31:11,342   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz'
2025-08-31T09:31:11,344   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz'
2025-08-31T09:31:11,346   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz'
2025-08-31T09:31:11,348   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz'
2025-08-31T09:31:11,350   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz'
2025-08-31T09:31:11,352   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz'
2025-08-31T09:31:11,353   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz'
2025-08-31T09:31:11,355   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz'
2025-08-31T09:31:11,357   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz'
2025-08-31T09:31:11,358   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz'
2025-08-31T09:31:11,360   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz'
2025-08-31T09:31:11,361   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz'
2025-08-31T09:31:11,363   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz'
2025-08-31T09:31:11,365   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz'
2025-08-31T09:31:11,366   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz'
2025-08-31T09:31:11,368   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz'
2025-08-31T09:31:11,369   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz'
2025-08-31T09:31:11,370   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz'
2025-08-31T09:31:11,371   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz'
2025-08-31T09:31:11,372   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz'
2025-08-31T09:31:11,374   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz'
2025-08-31T09:31:11,375   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz'
2025-08-31T09:31:11,376   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz'
2025-08-31T09:31:11,379   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz'
2025-08-31T09:31:11,380   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz'
2025-08-31T09:31:11,382   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz'
2025-08-31T09:31:11,383   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz'
2025-08-31T09:31:11,384   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz'
2025-08-31T09:31:11,385   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz'
2025-08-31T09:31:11,387   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz'
2025-08-31T09:31:11,388   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz'
2025-08-31T09:31:11,389   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz'
2025-08-31T09:31:11,390   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz'
2025-08-31T09:31:11,391   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz'
2025-08-31T09:31:11,392   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz'
2025-08-31T09:31:11,393   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz'
2025-08-31T09:31:11,395   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz'
2025-08-31T09:31:11,396   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz'
2025-08-31T09:31:11,397   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz'
2025-08-31T09:31:11,398   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz'
2025-08-31T09:31:11,399   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz'
2025-08-31T09:31:11,401   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz'
2025-08-31T09:31:11,402   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz'
2025-08-31T09:31:11,403   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz'
2025-08-31T09:31:11,404   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz'
2025-08-31T09:31:11,405   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz'
2025-08-31T09:31:11,406   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz'
2025-08-31T09:31:11,408   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz'
2025-08-31T09:31:11,409   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz'
2025-08-31T09:31:11,410   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz'
2025-08-31T09:31:11,411   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz'
2025-08-31T09:31:11,412   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz'
2025-08-31T09:31:11,414   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz'
2025-08-31T09:31:11,415   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz'
2025-08-31T09:31:11,416   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz'
2025-08-31T09:31:11,417   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz'
2025-08-31T09:31:11,418   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz'
2025-08-31T09:31:11,420   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz'
2025-08-31T09:31:11,421   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz'
2025-08-31T09:31:11,422   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz'
2025-08-31T09:31:11,423   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz'
2025-08-31T09:31:11,424   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz'
2025-08-31T09:31:11,426   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz'
2025-08-31T09:31:11,427   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz'
2025-08-31T09:31:11,428   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz'
2025-08-31T09:31:11,429   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz'
2025-08-31T09:31:11,431   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz'
2025-08-31T09:31:11,432   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz'
2025-08-31T09:31:11,433   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz'
2025-08-31T09:31:11,434   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz'
2025-08-31T09:31:11,436   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz'
2025-08-31T09:31:11,437   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz'
2025-08-31T09:31:11,438   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz'
2025-08-31T09:31:11,439   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz'
2025-08-31T09:31:11,440   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz'
2025-08-31T09:31:11,442   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz'
2025-08-31T09:31:11,443   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz'
2025-08-31T09:31:11,444   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz'
2025-08-31T09:31:11,445   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz'
2025-08-31T09:31:11,446   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz'
2025-08-31T09:31:11,448   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz'
2025-08-31T09:31:11,449   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz'
2025-08-31T09:31:11,450   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz'
2025-08-31T09:31:11,451   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz'
2025-08-31T09:31:11,452   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz'
2025-08-31T09:31:11,454   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz'
2025-08-31T09:31:11,455   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz'
2025-08-31T09:31:11,456   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz'
2025-08-31T09:31:11,457   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz'
2025-08-31T09:31:11,458   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz'
2025-08-31T09:31:11,460   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz'
2025-08-31T09:31:11,461   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz'
2025-08-31T09:31:11,462   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz'
2025-08-31T09:31:11,463   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz'
2025-08-31T09:31:11,465   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz'
2025-08-31T09:31:11,466   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz'
2025-08-31T09:31:11,467   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz'
2025-08-31T09:31:11,468   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz'
2025-08-31T09:31:11,469   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz'
2025-08-31T09:31:11,471   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz'
2025-08-31T09:31:11,472   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz'
2025-08-31T09:31:11,473   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz'
2025-08-31T09:31:11,474   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz'
2025-08-31T09:31:11,476   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz'
2025-08-31T09:31:11,477   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz'
2025-08-31T09:31:11,478   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz'
2025-08-31T09:31:11,479   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz'
2025-08-31T09:31:11,481   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz'
2025-08-31T09:31:11,482   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz'
2025-08-31T09:31:11,483   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz'
2025-08-31T09:31:11,484   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz'
2025-08-31T09:31:11,485   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz'
2025-08-31T09:31:11,486   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz'
2025-08-31T09:31:11,487   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz'
2025-08-31T09:31:11,489   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz'
2025-08-31T09:31:11,490   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz'
2025-08-31T09:31:11,491   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz'
2025-08-31T09:31:11,492   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz'
2025-08-31T09:31:11,494   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz'
2025-08-31T09:31:11,495   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz'
2025-08-31T09:31:11,496   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz'
2025-08-31T09:31:11,497   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz'
2025-08-31T09:31:11,498   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz'
2025-08-31T09:31:11,500   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz'
2025-08-31T09:31:11,502   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz'
2025-08-31T09:31:11,503   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz'
2025-08-31T09:31:11,504   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz'
2025-08-31T09:31:11,505   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz'
2025-08-31T09:31:11,507   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz'
2025-08-31T09:31:11,508   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz'
2025-08-31T09:31:11,509   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz'
2025-08-31T09:31:11,511   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz'
2025-08-31T09:31:11,512   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz'
2025-08-31T09:31:11,513   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz'
2025-08-31T09:31:11,514   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz'
2025-08-31T09:31:11,515   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz'
2025-08-31T09:31:11,517   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz'
2025-08-31T09:31:11,518   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz'
2025-08-31T09:31:11,519   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz'
2025-08-31T09:31:11,521   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz'
2025-08-31T09:31:11,522   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz'
2025-08-31T09:31:11,523   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz'
2025-08-31T09:31:11,524   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz'
2025-08-31T09:31:11,526   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz'
2025-08-31T09:31:11,527   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz'
2025-08-31T09:31:11,528   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz'
2025-08-31T09:31:11,531   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,532   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,534   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,535   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,536   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,537   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,538   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,539   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,541   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,542   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,543   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,544   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,545   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,547   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,548   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,549   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,550   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,551   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,553   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,554   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,555   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,556   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,558   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,559   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,560   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,561   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,563   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,564   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,565   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,566   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,568   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,569   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,570   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,571   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,573   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,574   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,575   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,577   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,578   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,579   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,580   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,581   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,583   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,584   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,585   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,586   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,588   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,589   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-08-31T09:31:11,591   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz'
2025-08-31T09:31:11,593   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz'
2025-08-31T09:31:11,594   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz'
2025-08-31T09:31:11,595   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz'
2025-08-31T09:31:11,596   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz'
2025-08-31T09:31:11,597   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz'
2025-08-31T09:31:11,598   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz'
2025-08-31T09:31:11,600   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz'
2025-08-31T09:31:11,601   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz'
2025-08-31T09:31:11,602   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz'
2025-08-31T09:31:11,603   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz'
2025-08-31T09:31:11,605   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz'
2025-08-31T09:31:11,606   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz'
2025-08-31T09:31:11,607   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz'
2025-08-31T09:31:11,608   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz'
2025-08-31T09:31:11,609   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz'
2025-08-31T09:31:11,611   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz'
2025-08-31T09:31:11,612   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz'
2025-08-31T09:31:11,613   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz'
2025-08-31T09:31:11,614   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz'
2025-08-31T09:31:11,616   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz'
2025-08-31T09:31:11,617   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz'
2025-08-31T09:31:11,618   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz'
2025-08-31T09:31:11,619   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz'
2025-08-31T09:31:11,621   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz'
2025-08-31T09:31:11,622   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz'
2025-08-31T09:31:11,623   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz'
2025-08-31T09:31:11,624   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz'
2025-08-31T09:31:11,625   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz'
2025-08-31T09:31:11,627   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz'
2025-08-31T09:31:11,628   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz'
2025-08-31T09:31:11,629   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz'
2025-08-31T09:31:11,630   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz'
2025-08-31T09:31:11,631   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz'
2025-08-31T09:31:11,632   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz'
2025-08-31T09:31:11,633   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz'
2025-08-31T09:31:11,634   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz'
2025-08-31T09:31:11,636   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz'
2025-08-31T09:31:11,637   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz'
2025-08-31T09:31:11,638   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz'
2025-08-31T09:31:11,639   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz'
2025-08-31T09:31:11,640   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz'
2025-08-31T09:31:11,642   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz'
2025-08-31T09:31:11,643   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz'
2025-08-31T09:31:11,644   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz'
2025-08-31T09:31:11,645   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz'
2025-08-31T09:31:11,646   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz'
2025-08-31T09:31:11,648   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz'
2025-08-31T09:31:11,649   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz'
2025-08-31T09:31:11,650   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz'
2025-08-31T09:31:11,652   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz'
2025-08-31T09:31:11,653   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz'
2025-08-31T09:31:11,654   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz'
2025-08-31T09:31:11,655   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz'
2025-08-31T09:31:11,656   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz'
2025-08-31T09:31:11,658   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz'
2025-08-31T09:31:11,659   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz'
2025-08-31T09:31:11,660   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz'
2025-08-31T09:31:11,661   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz'
2025-08-31T09:31:11,663   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz'
2025-08-31T09:31:11,665   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz'
2025-08-31T09:31:11,666   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz'
2025-08-31T09:31:11,667   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz'
2025-08-31T09:31:11,669   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz'
2025-08-31T09:31:11,670   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz'
2025-08-31T09:31:11,671   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz'
2025-08-31T09:31:11,673   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz'
2025-08-31T09:31:11,674   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz'
2025-08-31T09:31:11,675   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz'
2025-08-31T09:31:11,676   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz'
2025-08-31T09:31:11,678   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz'
2025-08-31T09:31:11,679   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz'
2025-08-31T09:31:11,680   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz'
2025-08-31T09:31:11,681   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz'
2025-08-31T09:31:11,683   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz'
2025-08-31T09:31:11,684   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz'
2025-08-31T09:31:11,685   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz'
2025-08-31T09:31:11,686   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz'
2025-08-31T09:31:11,687   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz'
2025-08-31T09:31:11,689   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz'
2025-08-31T09:31:11,690   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz'
2025-08-31T09:31:11,691   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz'
2025-08-31T09:31:11,692   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz'
2025-08-31T09:31:11,693   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz'
2025-08-31T09:31:11,694   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz'
2025-08-31T09:31:11,696   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz'
2025-08-31T09:31:11,697   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz'
2025-08-31T09:31:11,698   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz'
2025-08-31T09:31:11,700   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz'
2025-08-31T09:31:11,701   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz'
2025-08-31T09:31:11,702   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz'
2025-08-31T09:31:11,703   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz'
2025-08-31T09:31:11,704   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz'
2025-08-31T09:31:11,706   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz'
2025-08-31T09:31:11,707   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz'
2025-08-31T09:31:11,708   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz'
2025-08-31T09:31:11,709   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz'
2025-08-31T09:31:11,711   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz'
2025-08-31T09:31:11,712   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz'
2025-08-31T09:31:11,713   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz'
2025-08-31T09:31:11,716   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz'
2025-08-31T09:31:11,717   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz'
2025-08-31T09:31:11,718   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz'
2025-08-31T09:31:11,719   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz'
2025-08-31T09:31:11,721   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz'
2025-08-31T09:31:11,722   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz'
2025-08-31T09:31:11,723   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz'
2025-08-31T09:31:11,724   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz'
2025-08-31T09:31:11,725   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz'
2025-08-31T09:31:11,727   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz'
2025-08-31T09:31:11,728   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz'
2025-08-31T09:31:11,729   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz'
2025-08-31T09:31:11,730   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz'
2025-08-31T09:31:11,732   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz'
2025-08-31T09:31:11,733   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz'
2025-08-31T09:31:11,734   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz'
2025-08-31T09:31:11,735   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz'
2025-08-31T09:31:11,736   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz'
2025-08-31T09:31:11,738   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz'
2025-08-31T09:31:11,739   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz'
2025-08-31T09:31:11,740   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz'
2025-08-31T09:31:11,741   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz'
2025-08-31T09:31:11,742   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz'
2025-08-31T09:31:11,743   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz'
2025-08-31T09:31:11,744   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz'
2025-08-31T09:31:11,745   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz'
2025-08-31T09:31:11,746   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz'
2025-08-31T09:31:11,747   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz'
2025-08-31T09:31:11,749   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz'
2025-08-31T09:31:11,750   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz'
2025-08-31T09:31:11,751   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz'
2025-08-31T09:31:11,752   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz'
2025-08-31T09:31:11,753   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz'
2025-08-31T09:31:11,754   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz'
2025-08-31T09:31:11,756   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz'
2025-08-31T09:31:11,757   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz'
2025-08-31T09:31:11,758   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz'
2025-08-31T09:31:11,759   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz'
2025-08-31T09:31:11,760   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz'
2025-08-31T09:31:11,761   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz'
2025-08-31T09:31:11,763   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz'
2025-08-31T09:31:11,764   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz'
2025-08-31T09:31:11,765   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz'
2025-08-31T09:31:11,766   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz'
2025-08-31T09:31:11,767   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz'
2025-08-31T09:31:11,769   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz'
2025-08-31T09:31:11,770   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz'
2025-08-31T09:31:11,771   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz'
2025-08-31T09:31:11,772   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz'
2025-08-31T09:31:11,773   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz'
2025-08-31T09:31:11,775   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz'
2025-08-31T09:31:11,776   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz'
2025-08-31T09:31:11,777   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz'
2025-08-31T09:31:11,778   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz'
2025-08-31T09:31:11,779   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz'
2025-08-31T09:31:11,781   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz'
2025-08-31T09:31:11,782   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz'
2025-08-31T09:31:11,783   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz'
2025-08-31T09:31:11,784   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz'
2025-08-31T09:31:11,785   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz'
2025-08-31T09:31:11,787   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz'
2025-08-31T09:31:11,789   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz'
2025-08-31T09:31:11,790   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz'
2025-08-31T09:31:11,791   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz'
2025-08-31T09:31:11,792   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz'
2025-08-31T09:31:11,793   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz'
2025-08-31T09:31:11,795   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz'
2025-08-31T09:31:11,796   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz'
2025-08-31T09:31:11,797   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz'
2025-08-31T09:31:11,798   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz'
2025-08-31T09:31:11,799   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz'
2025-08-31T09:31:11,801   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz'
2025-08-31T09:31:11,803   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz'
2025-08-31T09:31:11,804   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz'
2025-08-31T09:31:11,805   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz'
2025-08-31T09:31:11,806   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz'
2025-08-31T09:31:11,807   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz'
2025-08-31T09:31:11,809   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz'
2025-08-31T09:31:11,810   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz'
2025-08-31T09:31:11,811   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz'
2025-08-31T09:31:11,812   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz'
2025-08-31T09:31:11,813   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz'
2025-08-31T09:31:11,814   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz'
2025-08-31T09:31:11,815   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz'
2025-08-31T09:31:11,817   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz'
2025-08-31T09:31:11,818   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz'
2025-08-31T09:31:11,819   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz'
2025-08-31T09:31:11,820   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz'
2025-08-31T09:31:11,821   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz'
2025-08-31T09:31:11,823   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz'
2025-08-31T09:31:11,824   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz'
2025-08-31T09:31:11,825   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz'
2025-08-31T09:31:11,826   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz'
2025-08-31T09:31:11,827   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz'
2025-08-31T09:31:11,829   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz'
2025-08-31T09:31:11,830   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz'
2025-08-31T09:31:11,831   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz'
2025-08-31T09:31:11,832   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz'
2025-08-31T09:31:11,833   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz'
2025-08-31T09:31:11,834   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz'
2025-08-31T09:31:11,836   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz'
2025-08-31T09:31:11,837   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz'
2025-08-31T09:31:11,838   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz'
2025-08-31T09:31:11,839   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz'
2025-08-31T09:31:11,840   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz'
2025-08-31T09:31:11,842   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz'
2025-08-31T09:31:11,843   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz'
2025-08-31T09:31:11,844   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz'
2025-08-31T09:31:11,845   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz'
2025-08-31T09:31:11,846   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz'
2025-08-31T09:31:11,847   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz'
2025-08-31T09:31:11,848   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz'
2025-08-31T09:31:11,852   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz'
2025-08-31T09:31:11,853   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz'
2025-08-31T09:31:11,854   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz'
2025-08-31T09:31:11,856   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz'
2025-08-31T09:31:11,857   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz'
2025-08-31T09:31:11,858   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz'
2025-08-31T09:31:11,859   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz'
2025-08-31T09:31:11,861   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz'
2025-08-31T09:31:11,862   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz'
2025-08-31T09:31:11,863   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz'
2025-08-31T09:31:11,864   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz'
2025-08-31T09:31:11,866   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz'
2025-08-31T09:31:11,867   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz'
2025-08-31T09:31:11,868   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz'
2025-08-31T09:31:11,870   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz'
2025-08-31T09:31:11,871   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz'
2025-08-31T09:31:11,872   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz'
2025-08-31T09:31:11,873   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz'
2025-08-31T09:31:11,875   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz'
2025-08-31T09:31:11,876   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz'
2025-08-31T09:31:11,877   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz'
2025-08-31T09:31:11,878   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz'
2025-08-31T09:31:11,880   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz'
2025-08-31T09:31:11,881   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz'
2025-08-31T09:31:11,882   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz'
2025-08-31T09:31:11,883   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz'
2025-08-31T09:31:11,885   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz'
2025-08-31T09:31:11,886   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz'
2025-08-31T09:31:11,887   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz'
2025-08-31T09:31:11,888   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz'
2025-08-31T09:31:11,890   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz'
2025-08-31T09:31:11,891   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz'
2025-08-31T09:31:11,893   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz'
2025-08-31T09:31:11,894   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz'
2025-08-31T09:31:11,895   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz'
2025-08-31T09:31:11,896   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz'
2025-08-31T09:31:11,898   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz'
2025-08-31T09:31:11,899   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz'
2025-08-31T09:31:11,900   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz'
2025-08-31T09:31:11,901   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz'
2025-08-31T09:31:11,903   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz'
2025-08-31T09:31:11,904   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz'
2025-08-31T09:31:11,905   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz'
2025-08-31T09:31:11,906   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz'
2025-08-31T09:31:11,907   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz'
2025-08-31T09:31:11,909   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz'
2025-08-31T09:31:11,910   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz'
2025-08-31T09:31:11,911   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz'
2025-08-31T09:31:11,912   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz'
2025-08-31T09:31:11,913   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz'
2025-08-31T09:31:11,914   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz'
2025-08-31T09:31:11,916   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz'
2025-08-31T09:31:11,917   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz'
2025-08-31T09:31:11,918   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz'
2025-08-31T09:31:11,920   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz'
2025-08-31T09:31:11,921   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz'
2025-08-31T09:31:11,922   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz'
2025-08-31T09:31:11,923   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz'
2025-08-31T09:31:11,925   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz'
2025-08-31T09:31:11,926   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz'
2025-08-31T09:31:11,927   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz'
2025-08-31T09:31:11,928   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz'
2025-08-31T09:31:11,930   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz'
2025-08-31T09:31:11,931   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz'
2025-08-31T09:31:11,932   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz'
2025-08-31T09:31:11,933   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz'
2025-08-31T09:31:11,935   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz'
2025-08-31T09:31:11,936   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz'
2025-08-31T09:31:11,937   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz'
2025-08-31T09:31:11,938   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz'
2025-08-31T09:31:11,940   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz'
2025-08-31T09:31:11,941   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz'
2025-08-31T09:31:11,942   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz'
2025-08-31T09:31:11,943   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz'
2025-08-31T09:31:11,945   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz'
2025-08-31T09:31:11,946   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz'
2025-08-31T09:31:11,947   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz'
2025-08-31T09:31:11,949   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz'
2025-08-31T09:31:11,950   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz'
2025-08-31T09:31:11,951   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz'
2025-08-31T09:31:11,952   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz'
2025-08-31T09:31:11,954   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz'
2025-08-31T09:31:11,955   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz'
2025-08-31T09:31:11,956   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz'
2025-08-31T09:31:11,958   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz'
2025-08-31T09:31:11,959   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz'
2025-08-31T09:31:11,960   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz'
2025-08-31T09:31:11,962   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz'
2025-08-31T09:31:11,963   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz'
2025-08-31T09:31:11,964   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz'
2025-08-31T09:31:11,965   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz'
2025-08-31T09:31:11,966   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz'
2025-08-31T09:31:11,968   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz'
2025-08-31T09:31:11,969   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz'
2025-08-31T09:31:11,970   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz'
2025-08-31T09:31:11,971   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz'
2025-08-31T09:31:11,972   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz'
2025-08-31T09:31:11,974   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz'
2025-08-31T09:31:11,975   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz'
2025-08-31T09:31:11,976   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz'
2025-08-31T09:31:11,978   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz'
2025-08-31T09:31:11,979   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz'
2025-08-31T09:31:11,980   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz'
2025-08-31T09:31:11,981   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz'
2025-08-31T09:31:11,982   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz'
2025-08-31T09:31:11,984   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz'
2025-08-31T09:31:11,985   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz'
2025-08-31T09:31:11,986   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz'
2025-08-31T09:31:11,987   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz'
2025-08-31T09:31:11,989   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz'
2025-08-31T09:31:11,990   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz'
2025-08-31T09:31:11,991   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz'
2025-08-31T09:31:11,992   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz'
2025-08-31T09:31:11,994   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz'
2025-08-31T09:31:11,995   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz'
2025-08-31T09:31:11,996   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz'
2025-08-31T09:31:11,998   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz'
2025-08-31T09:31:11,999   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz'
2025-08-31T09:31:12,000   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz'
2025-08-31T09:31:12,001   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz'
2025-08-31T09:31:12,004   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz'
2025-08-31T09:31:12,005   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz'
2025-08-31T09:31:12,006   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz'
2025-08-31T09:31:12,007   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz'
2025-08-31T09:31:12,009   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz'
2025-08-31T09:31:12,010   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz'
2025-08-31T09:31:12,011   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz'
2025-08-31T09:31:12,012   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz'
2025-08-31T09:31:12,014   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz'
2025-08-31T09:31:12,015   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz'
2025-08-31T09:31:12,016   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz'
2025-08-31T09:31:12,017   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz'
2025-08-31T09:31:12,019   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz'
2025-08-31T09:31:12,020   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz'
2025-08-31T09:31:12,021   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz'
2025-08-31T09:31:12,022   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz'
2025-08-31T09:31:12,023   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz'
2025-08-31T09:31:12,024   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz'
2025-08-31T09:31:12,025   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz'
2025-08-31T09:31:12,027   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz'
2025-08-31T09:31:12,028   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz'
2025-08-31T09:31:12,029   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz'
2025-08-31T09:31:12,030   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz'
2025-08-31T09:31:12,031   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz'
2025-08-31T09:31:12,033   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz'
2025-08-31T09:31:12,034   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz'
2025-08-31T09:31:12,035   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz'
2025-08-31T09:31:12,036   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz'
2025-08-31T09:31:12,037   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz'
2025-08-31T09:31:12,038   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz'
2025-08-31T09:31:12,040   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz'
2025-08-31T09:31:12,041   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz'
2025-08-31T09:31:12,042   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz'
2025-08-31T09:31:12,043   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz'
2025-08-31T09:31:12,044   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz'
2025-08-31T09:31:12,045   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz'
2025-08-31T09:31:12,047   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz'
2025-08-31T09:31:12,048   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz'
2025-08-31T09:31:12,049   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz'
2025-08-31T09:31:12,050   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz'
2025-08-31T09:31:12,052   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz'
2025-08-31T09:31:12,053   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz'
2025-08-31T09:31:12,055   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz'
2025-08-31T09:31:12,056   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz'
2025-08-31T09:31:12,057   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz'
2025-08-31T09:31:12,058   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz'
2025-08-31T09:31:12,060   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz'
2025-08-31T09:31:12,061   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz'
2025-08-31T09:31:12,062   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz'
2025-08-31T09:31:12,063   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz'
2025-08-31T09:31:12,064   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz'
2025-08-31T09:31:12,065   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz'
2025-08-31T09:31:12,066   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz'
2025-08-31T09:31:12,067   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz'
2025-08-31T09:31:12,069   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz'
2025-08-31T09:31:12,070   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz'
2025-08-31T09:31:12,071   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz'
2025-08-31T09:31:12,072   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz'
2025-08-31T09:31:12,073   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz'
2025-08-31T09:31:12,074   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz'
2025-08-31T09:31:12,075   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz'
2025-08-31T09:31:12,076   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz'
2025-08-31T09:31:12,077   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz'
2025-08-31T09:31:12,078   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz'
2025-08-31T09:31:12,079   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz'
2025-08-31T09:31:12,081   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz'
2025-08-31T09:31:12,082   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz'
2025-08-31T09:31:12,083   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz'
2025-08-31T09:31:12,085   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz'
2025-08-31T09:31:12,087   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz'
2025-08-31T09:31:12,088   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz'
2025-08-31T09:31:12,089   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz'
2025-08-31T09:31:12,090   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz'
2025-08-31T09:31:12,092   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz'
2025-08-31T09:31:12,093   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz'
2025-08-31T09:31:12,094   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz'
2025-08-31T09:31:12,095   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz'
2025-08-31T09:31:12,097   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz'
2025-08-31T09:31:12,098   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz'
2025-08-31T09:31:12,099   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz'
2025-08-31T09:31:12,100   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz'
2025-08-31T09:31:12,102   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz'
2025-08-31T09:31:12,103   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz'
2025-08-31T09:31:12,104   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz'
2025-08-31T09:31:12,106   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz'
2025-08-31T09:31:12,107   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz'
2025-08-31T09:31:12,108   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz'
2025-08-31T09:31:12,110   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz'
2025-08-31T09:31:12,111   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz'
2025-08-31T09:31:12,112   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz'
2025-08-31T09:31:12,114   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz'
2025-08-31T09:31:12,115   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz'
2025-08-31T09:31:12,116   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz'
2025-08-31T09:31:12,117   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz'
2025-08-31T09:31:12,119   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz'
2025-08-31T09:31:12,120   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz'
2025-08-31T09:31:12,121   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz'
2025-08-31T09:31:12,122   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz'
2025-08-31T09:31:12,123   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz'
2025-08-31T09:31:12,124   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz'
2025-08-31T09:31:12,126   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz'
2025-08-31T09:31:12,127   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz'
2025-08-31T09:31:12,128   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz'
2025-08-31T09:31:12,129   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz'
2025-08-31T09:31:12,130   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz'
2025-08-31T09:31:12,132   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz'
2025-08-31T09:31:12,133   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz'
2025-08-31T09:31:12,134   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz'
2025-08-31T09:31:12,135   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz'
2025-08-31T09:31:12,137   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz'
2025-08-31T09:31:12,138   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz'
2025-08-31T09:31:12,139   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz'
2025-08-31T09:31:12,143   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz'
2025-08-31T09:31:12,145   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz'
2025-08-31T09:31:12,146   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz'
2025-08-31T09:31:12,147   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz'
2025-08-31T09:31:12,148   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz'
2025-08-31T09:31:12,149   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz'
2025-08-31T09:31:12,151   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz'
2025-08-31T09:31:12,152   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz'
2025-08-31T09:31:12,153   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz'
2025-08-31T09:31:12,155   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz'
2025-08-31T09:31:12,156   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz'
2025-08-31T09:31:12,157   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz'
2025-08-31T09:31:12,159   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz'
2025-08-31T09:31:12,160   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz'
2025-08-31T09:31:12,161   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz'
2025-08-31T09:31:12,162   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz'
2025-08-31T09:31:12,164   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz'
2025-08-31T09:31:12,165   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz'
2025-08-31T09:31:12,166   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz'
2025-08-31T09:31:12,167   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz'
2025-08-31T09:31:12,169   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz'
2025-08-31T09:31:12,170   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz'
2025-08-31T09:31:12,171   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz'
2025-08-31T09:31:12,173   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz'
2025-08-31T09:31:12,174   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz'
2025-08-31T09:31:12,175   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz'
2025-08-31T09:31:12,177   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz'
2025-08-31T09:31:12,178   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz'
2025-08-31T09:31:12,179   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz'
2025-08-31T09:31:12,180   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz'
2025-08-31T09:31:12,181   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz'
2025-08-31T09:31:12,182   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz'
2025-08-31T09:31:12,184   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz'
2025-08-31T09:31:12,185   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz'
2025-08-31T09:31:12,186   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz'
2025-08-31T09:31:12,187   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz'
2025-08-31T09:31:12,188   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz'
2025-08-31T09:31:12,190   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz'
2025-08-31T09:31:12,191   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz'
2025-08-31T09:31:12,192   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz'
2025-08-31T09:31:12,193   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz'
2025-08-31T09:31:12,194   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz'
2025-08-31T09:31:12,195   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz'
2025-08-31T09:31:12,197   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz'
2025-08-31T09:31:12,198   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz'
2025-08-31T09:31:12,199   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz'
2025-08-31T09:31:12,200   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz'
2025-08-31T09:31:12,202   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz'
2025-08-31T09:31:12,203   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz'
2025-08-31T09:31:12,204   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz'
2025-08-31T09:31:12,205   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz'
2025-08-31T09:31:12,207   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz'
2025-08-31T09:31:12,208   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz'
2025-08-31T09:31:12,209   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz'
2025-08-31T09:31:12,210   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz'
2025-08-31T09:31:12,212   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz'
2025-08-31T09:31:12,213   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz'
2025-08-31T09:31:12,214   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz'
2025-08-31T09:31:12,216   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz'
2025-08-31T09:31:12,217   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz'
2025-08-31T09:31:12,218   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz'
2025-08-31T09:31:12,220   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz'
2025-08-31T09:31:12,221   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz'
2025-08-31T09:31:12,222   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz'
2025-08-31T09:31:12,224   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz'
2025-08-31T09:31:12,225   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz'
2025-08-31T09:31:12,226   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz'
2025-08-31T09:31:12,228   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz'
2025-08-31T09:31:12,229   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz'
2025-08-31T09:31:12,230   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz'
2025-08-31T09:31:12,231   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz'
2025-08-31T09:31:12,232   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz'
2025-08-31T09:31:12,234   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz'
2025-08-31T09:31:12,235   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz'
2025-08-31T09:31:12,236   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz'
2025-08-31T09:31:12,238   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz'
2025-08-31T09:31:12,239   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz'
2025-08-31T09:31:12,240   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz'
2025-08-31T09:31:12,242   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz'
2025-08-31T09:31:12,243   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz'
2025-08-31T09:31:12,244   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz'
2025-08-31T09:31:12,245   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz'
2025-08-31T09:31:12,247   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz'
2025-08-31T09:31:12,248   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz'
2025-08-31T09:31:12,250   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz'
2025-08-31T09:31:12,251   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz'
2025-08-31T09:31:12,252   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz'
2025-08-31T09:31:12,253   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz'
2025-08-31T09:31:12,254   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz'
2025-08-31T09:31:12,256   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz'
2025-08-31T09:31:12,257   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz'
2025-08-31T09:31:12,258   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz'
2025-08-31T09:31:12,260   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz'
2025-08-31T09:31:12,261   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz'
2025-08-31T09:31:12,262   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz'
2025-08-31T09:31:12,264   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz'
2025-08-31T09:31:12,265   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz'
2025-08-31T09:31:12,266   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz'
2025-08-31T09:31:12,268   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz'
2025-08-31T09:31:12,269   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz'
2025-08-31T09:31:12,270   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz'
2025-08-31T09:31:12,271   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz'
2025-08-31T09:31:12,273   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz'
2025-08-31T09:31:12,274   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz'
2025-08-31T09:31:12,275   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz'
2025-08-31T09:31:12,276   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz'
2025-08-31T09:31:12,278   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz'
2025-08-31T09:31:12,279   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz'
2025-08-31T09:31:12,280   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz'
2025-08-31T09:31:12,282   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz'
2025-08-31T09:31:12,283   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz'
2025-08-31T09:31:12,284   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz'
2025-08-31T09:31:12,285   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz'
2025-08-31T09:31:12,286   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz'
2025-08-31T09:31:12,288   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz'
2025-08-31T09:31:12,289   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz'
2025-08-31T09:31:12,290   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz'
2025-08-31T09:31:12,292   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz'
2025-08-31T09:31:12,293   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz'
2025-08-31T09:31:12,294   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz'
2025-08-31T09:31:12,297   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz'
2025-08-31T09:31:12,298   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz'
2025-08-31T09:31:12,299   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz'
2025-08-31T09:31:12,300   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz'
2025-08-31T09:31:12,301   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz'
2025-08-31T09:31:12,302   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz'
2025-08-31T09:31:12,303   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz'
2025-08-31T09:31:12,305   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz'
2025-08-31T09:31:12,306   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz'
2025-08-31T09:31:12,307   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz'
2025-08-31T09:31:12,308   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz'
2025-08-31T09:31:12,309   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz'
2025-08-31T09:31:12,311   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz'
2025-08-31T09:31:12,312   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz'
2025-08-31T09:31:12,313   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz'
2025-08-31T09:31:12,314   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz'
2025-08-31T09:31:12,315   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz'
2025-08-31T09:31:12,316   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz'
2025-08-31T09:31:12,318   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz'
2025-08-31T09:31:12,319   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz'
2025-08-31T09:31:12,320   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz'
2025-08-31T09:31:12,322   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz'
2025-08-31T09:31:12,323   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz'
2025-08-31T09:31:12,324   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz'
2025-08-31T09:31:12,325   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz'
2025-08-31T09:31:12,326   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz'
2025-08-31T09:31:12,328   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz'
2025-08-31T09:31:12,329   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz'
2025-08-31T09:31:12,330   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz'
2025-08-31T09:31:12,331   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz'
2025-08-31T09:31:12,332   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz'
2025-08-31T09:31:12,334   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz'
2025-08-31T09:31:12,335   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz'
2025-08-31T09:31:12,336   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz'
2025-08-31T09:31:12,337   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz'
2025-08-31T09:31:12,339   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz'
2025-08-31T09:31:12,340   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz'
2025-08-31T09:31:12,341   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz'
2025-08-31T09:31:12,342   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz'
2025-08-31T09:31:12,343   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz'
2025-08-31T09:31:12,345   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz'
2025-08-31T09:31:12,346   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz'
2025-08-31T09:31:12,347   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz'
2025-08-31T09:31:12,348   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz'
2025-08-31T09:31:12,349   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz'
2025-08-31T09:31:12,350   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz'
2025-08-31T09:31:12,351   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz'
2025-08-31T09:31:12,353   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz'
2025-08-31T09:31:12,354   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz'
2025-08-31T09:31:12,355   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz'
2025-08-31T09:31:12,358   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz'
2025-08-31T09:31:12,359   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz'
2025-08-31T09:31:12,360   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz'
2025-08-31T09:31:12,361   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz'
2025-08-31T09:31:12,363   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz'
2025-08-31T09:31:12,364   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz'
2025-08-31T09:31:12,365   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz'
2025-08-31T09:31:12,366   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz'
2025-08-31T09:31:12,367   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz'
2025-08-31T09:31:12,369   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz'
2025-08-31T09:31:12,370   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz'
2025-08-31T09:31:12,372   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz'
2025-08-31T09:31:12,373   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz'
2025-08-31T09:31:12,375   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz'
2025-08-31T09:31:12,376   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz'
2025-08-31T09:31:12,378   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz'
2025-08-31T09:31:12,379   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz'
2025-08-31T09:31:12,381   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz'
2025-08-31T09:31:12,382   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz'
2025-08-31T09:31:12,383   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz'
2025-08-31T09:31:12,385   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz'
2025-08-31T09:31:12,386   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz'
2025-08-31T09:31:12,387   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz'
2025-08-31T09:31:12,388   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz'
2025-08-31T09:31:12,390   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz'
2025-08-31T09:31:12,391   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz'
2025-08-31T09:31:12,392   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz'
2025-08-31T09:31:12,393   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz'
2025-08-31T09:31:12,394   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz'
2025-08-31T09:31:12,395   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz'
2025-08-31T09:31:12,397   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz'
2025-08-31T09:31:12,398   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz'
2025-08-31T09:31:12,399   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz'
2025-08-31T09:31:12,400   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz'
2025-08-31T09:31:12,401   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz'
2025-08-31T09:31:12,403   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz'
2025-08-31T09:31:12,404   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz'
2025-08-31T09:31:12,405   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz'
2025-08-31T09:31:12,406   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz'
2025-08-31T09:31:12,407   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz'
2025-08-31T09:31:12,409   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz'
2025-08-31T09:31:12,410   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz'
2025-08-31T09:31:12,411   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz'
2025-08-31T09:31:12,412   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz'
2025-08-31T09:31:12,413   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz'
2025-08-31T09:31:12,415   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz'
2025-08-31T09:31:12,416   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz'
2025-08-31T09:31:12,417   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz'
2025-08-31T09:31:12,418   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz'
2025-08-31T09:31:12,419   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz'
2025-08-31T09:31:12,420   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz'
2025-08-31T09:31:12,421   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz'
2025-08-31T09:31:12,422   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz'
2025-08-31T09:31:12,424   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz'
2025-08-31T09:31:12,425   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz'
2025-08-31T09:31:12,426   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz'
2025-08-31T09:31:12,427   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz'
2025-08-31T09:31:12,428   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz'
2025-08-31T09:31:12,429   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz'
2025-08-31T09:31:12,431   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz'
2025-08-31T09:31:12,432   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz'
2025-08-31T09:31:12,433   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz'
2025-08-31T09:31:12,434   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz'
2025-08-31T09:31:12,435   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz'
2025-08-31T09:31:12,436   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz'
2025-08-31T09:31:12,438   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz'
2025-08-31T09:31:12,439   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz'
2025-08-31T09:31:12,440   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz'
2025-08-31T09:31:12,441   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz'
2025-08-31T09:31:12,442   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz'
2025-08-31T09:31:12,444   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz'
2025-08-31T09:31:12,446   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz'
2025-08-31T09:31:12,447   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz'
2025-08-31T09:31:12,449   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz'
2025-08-31T09:31:12,451   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz'
2025-08-31T09:31:12,452   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz'
2025-08-31T09:31:12,458   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz'
2025-08-31T09:31:12,459   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,461   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,462   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,463   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,464   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,466   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,467   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,468   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,469   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,471   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,472   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,473   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,474   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,475   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,477   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,478   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,479   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,481   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,482   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,483   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,485   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz'
2025-08-31T09:31:12,486   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,487   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,488   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,490   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,491   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,492   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,493   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,495   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,496   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,497   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,499   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,500   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,502   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,503   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,504   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,505   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,507   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,508   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,509   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,511   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,512   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz'
2025-08-31T09:31:12,514   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,515   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,517   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,518   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,519   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,520   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,522   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,523   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,524   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,526   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,527   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,528   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,530   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,531   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,532   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,534   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,535   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,536   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,538   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,539   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,540   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz'
2025-08-31T09:31:12,542   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,543   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,544   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,546   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,547   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,548   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,550   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,553   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,555   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,556   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,557   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,558   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,559   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,560   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,562   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,563   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,564   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,566   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,567   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,568   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,570   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz'
2025-08-31T09:31:12,572   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,573   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,574   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,575   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,577   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,578   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,579   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,580   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,582   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,583   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,585   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,586   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,587   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,588   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,590   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,591   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,592   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,594   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,595   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,596   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,598   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz'
2025-08-31T09:31:12,599   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,600   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,601   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,602   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,603   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,604   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,605   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,607   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,608   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,609   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,610   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,611   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,613   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,614   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,615   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,616   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,617   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,618   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,620   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,621   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,622   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz'
2025-08-31T09:31:12,624   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,625   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,626   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,627   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,628   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,629   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,631   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,632   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,633   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,634   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,635   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,637   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,638   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,639   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,640   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,642   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,643   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,644   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,645   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,646   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,648   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz'
2025-08-31T09:31:12,649   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,650   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,651   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,652   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,653   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,654   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,656   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,657   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,658   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,659   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,661   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,662   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,663   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,664   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,665   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,667   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,668   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,670   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,671   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,672   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,674   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz'
2025-08-31T09:31:12,675   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,677   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,679   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,680   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,682   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,684   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,686   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,688   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,690   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,692   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,694   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,695   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,696   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,698   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,699   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,700   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,701   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,703   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,704   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,706   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,707   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz'
2025-08-31T09:31:12,708   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,710   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,711   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,712   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,713   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,715   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,716   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,717   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,719   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,720   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,722   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,723   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,724   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,725   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,726   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,728   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,729   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,730   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,731   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,733   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,734   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz'
2025-08-31T09:31:12,736   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz'
2025-08-31T09:31:12,737   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz'
2025-08-31T09:31:12,739   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz'
2025-08-31T09:31:12,740   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz'
2025-08-31T09:31:12,750   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz'
2025-08-31T09:31:12,754   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,756   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,758   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,760   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,763   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,765   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,766   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,768   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,769   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,771   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,772   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,773   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,775   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,776   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,778   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,780   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,783   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,787   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,791   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,795   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,800   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz'
2025-08-31T09:31:12,805   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,810   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,816   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,818   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,821   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,824   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,826   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,828   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,831   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,833   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,834   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,836   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,837   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,839   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,841   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,842   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,845   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,846   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,848   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,849   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,851   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz'
2025-08-31T09:31:12,852   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,853   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,854   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,856   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,859   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,863   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,866   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,867   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,869   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,870   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,871   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,873   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,875   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,877   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,878   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,880   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,881   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,883   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,884   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,885   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,887   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz'
2025-08-31T09:31:12,889   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,890   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,891   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,893   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,894   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,895   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,897   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,898   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,899   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,901   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,902   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,903   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,905   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,906   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,907   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,908   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,909   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,910   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,911   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,913   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,914   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz'
2025-08-31T09:31:12,915   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,916   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,917   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,919   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,920   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,921   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,923   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,924   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,925   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,927   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,928   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,929   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,930   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,932   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,933   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,934   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,935   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,936   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,938   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,939   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,940   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz'
2025-08-31T09:31:12,942   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,943   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,944   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,945   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,947   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,948   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,949   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,950   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,951   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,952   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,953   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,954   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,955   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,957   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,958   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,959   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,960   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,961   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,963   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,964   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,965   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz'
2025-08-31T09:31:12,966   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,968   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,969   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,970   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,971   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,973   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,974   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:12,975   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:12,976   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:12,978   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:12,979   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:12,980   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:12,981   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:12,983   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:12,984   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:12,985   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:12,986   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:12,987   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:12,989   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:12,990   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:12,992   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz'
2025-08-31T09:31:12,993   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:12,994   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:12,995   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:12,996   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:12,997   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:12,998   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:12,999   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:13,000   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:13,002   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:13,003   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:13,004   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:13,006   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:13,007   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:13,009   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:13,010   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:13,011   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:13,013   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:13,014   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:13,015   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:13,016   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:13,018   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz'
2025-08-31T09:31:13,019   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:13,020   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:13,021   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:13,023   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:13,024   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:13,026   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:13,028   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:13,029   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:13,030   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:13,032   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:13,034   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:13,035   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:13,037   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:13,039   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:13,040   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:13,042   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:13,043   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:13,045   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:13,046   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:13,047   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:13,049   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz'
2025-08-31T09:31:13,050   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz'
2025-08-31T09:31:13,051   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz'
2025-08-31T09:31:13,052   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz'
2025-08-31T09:31:13,054   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz'
2025-08-31T09:31:13,055   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz'
2025-08-31T09:31:13,056   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz'
2025-08-31T09:31:13,058   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz'
2025-08-31T09:31:13,059   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz'
2025-08-31T09:31:13,060   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz'
2025-08-31T09:31:13,062   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz'
2025-08-31T09:31:13,063   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz'
2025-08-31T09:31:13,064   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz'
2025-08-31T09:31:13,065   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz'
2025-08-31T09:31:13,067   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz'
2025-08-31T09:31:13,068   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz'
2025-08-31T09:31:13,069   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz'
2025-08-31T09:31:13,070   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz'
2025-08-31T09:31:13,071   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz'
2025-08-31T09:31:13,073   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz'
2025-08-31T09:31:13,074   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz'
2025-08-31T09:31:13,076   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz'
2025-08-31T09:31:13,077   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz'
2025-08-31T09:31:13,079   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz'
2025-08-31T09:31:13,080   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz'
2025-08-31T09:31:13,083   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz'
2025-08-31T09:31:13,084   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz'
2025-08-31T09:31:13,085   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz'
2025-08-31T09:31:13,087   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz'
2025-08-31T09:31:13,088   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz'
2025-08-31T09:31:13,089   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz'
2025-08-31T09:31:13,090   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz'
2025-08-31T09:31:13,092   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz'
2025-08-31T09:31:13,093   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz'
2025-08-31T09:31:13,094   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz'
2025-08-31T09:31:13,095   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz'
2025-08-31T09:31:13,096   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz'
2025-08-31T09:31:13,097   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz'
2025-08-31T09:31:13,098   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz'
2025-08-31T09:31:13,099   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz'
2025-08-31T09:31:13,101   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz'
2025-08-31T09:31:13,102   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz'
2025-08-31T09:31:13,103   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz'
2025-08-31T09:31:13,104   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz'
2025-08-31T09:31:13,106   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz'
2025-08-31T09:31:13,107   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz'
2025-08-31T09:31:13,108   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz'
2025-08-31T09:31:13,109   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz'
2025-08-31T09:31:13,110   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz'
2025-08-31T09:31:13,112   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz'
2025-08-31T09:31:13,113   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz'
2025-08-31T09:31:13,114   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz'
2025-08-31T09:31:13,115   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz'
2025-08-31T09:31:13,116   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz'
2025-08-31T09:31:13,117   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz'
2025-08-31T09:31:13,119   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz'
2025-08-31T09:31:13,120   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz'
2025-08-31T09:31:13,121   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz'
2025-08-31T09:31:13,122   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz'
2025-08-31T09:31:13,123   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz'
2025-08-31T09:31:13,125   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz'
2025-08-31T09:31:13,126   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz'
2025-08-31T09:31:13,127   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz'
2025-08-31T09:31:13,128   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz'
2025-08-31T09:31:13,130   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz'
2025-08-31T09:31:13,131   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz'
2025-08-31T09:31:13,132   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz'
2025-08-31T09:31:13,133   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz'
2025-08-31T09:31:13,134   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz'
2025-08-31T09:31:13,136   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz'
2025-08-31T09:31:13,137   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz'
2025-08-31T09:31:13,138   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz'
2025-08-31T09:31:13,140   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz'
2025-08-31T09:31:13,141   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz'
2025-08-31T09:31:13,142   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz'
2025-08-31T09:31:13,143   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz'
2025-08-31T09:31:13,144   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz'
2025-08-31T09:31:13,145   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz'
2025-08-31T09:31:13,147   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz'
2025-08-31T09:31:13,148   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz'
2025-08-31T09:31:13,150   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz'
2025-08-31T09:31:13,154   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz'
2025-08-31T09:31:13,156   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz'
2025-08-31T09:31:13,158   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz'
2025-08-31T09:31:13,160   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz'
2025-08-31T09:31:13,162   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz'
2025-08-31T09:31:13,163   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz'
2025-08-31T09:31:13,164   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz'
2025-08-31T09:31:13,165   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz'
2025-08-31T09:31:13,166   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz'
2025-08-31T09:31:13,168   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz'
2025-08-31T09:31:13,169   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz'
2025-08-31T09:31:13,171   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz'
2025-08-31T09:31:13,172   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz'
2025-08-31T09:31:13,173   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz'
2025-08-31T09:31:13,175   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz'
2025-08-31T09:31:13,176   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz'
2025-08-31T09:31:13,177   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz'
2025-08-31T09:31:13,178   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz'
2025-08-31T09:31:13,180   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz'
2025-08-31T09:31:13,181   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz'
2025-08-31T09:31:13,182   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz'
2025-08-31T09:31:13,184   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz'
2025-08-31T09:31:13,185   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz'
2025-08-31T09:31:13,186   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz'
2025-08-31T09:31:13,188   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz'
2025-08-31T09:31:13,189   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz'
2025-08-31T09:31:13,190   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz'
2025-08-31T09:31:13,191   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz'
2025-08-31T09:31:13,193   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz'
2025-08-31T09:31:13,194   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz'
2025-08-31T09:31:13,195   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz'
2025-08-31T09:31:13,196   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz'
2025-08-31T09:31:13,198   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz'
2025-08-31T09:31:13,199   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz'
2025-08-31T09:31:13,200   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz'
2025-08-31T09:31:13,201   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz'
2025-08-31T09:31:13,202   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz'
2025-08-31T09:31:13,204   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz'
2025-08-31T09:31:13,205   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz'
2025-08-31T09:31:13,206   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz'
2025-08-31T09:31:13,207   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz'
2025-08-31T09:31:13,208   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz'
2025-08-31T09:31:13,209   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz'
2025-08-31T09:31:13,211   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz'
2025-08-31T09:31:13,212   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz'
2025-08-31T09:31:13,213   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz'
2025-08-31T09:31:13,215   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz'
2025-08-31T09:31:13,216   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz'
2025-08-31T09:31:13,217   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz'
2025-08-31T09:31:13,218   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz'
2025-08-31T09:31:13,220   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz'
2025-08-31T09:31:13,222   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz'
2025-08-31T09:31:13,224   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz'
2025-08-31T09:31:13,225   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz'
2025-08-31T09:31:13,226   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz'
2025-08-31T09:31:13,227   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz'
2025-08-31T09:31:13,229   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz'
2025-08-31T09:31:13,230   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz'
2025-08-31T09:31:13,231   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz'
2025-08-31T09:31:13,232   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz'
2025-08-31T09:31:13,234   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz'
2025-08-31T09:31:13,235   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz'
2025-08-31T09:31:13,236   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz'
2025-08-31T09:31:13,237   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz'
2025-08-31T09:31:13,238   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz'
2025-08-31T09:31:13,240   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz'
2025-08-31T09:31:13,241   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz'
2025-08-31T09:31:13,242   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz'
2025-08-31T09:31:13,243   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz'
2025-08-31T09:31:13,245   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz'
2025-08-31T09:31:13,246   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz'
2025-08-31T09:31:13,247   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz'
2025-08-31T09:31:13,248   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz'
2025-08-31T09:31:13,250   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz'
2025-08-31T09:31:13,251   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz'
2025-08-31T09:31:13,252   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz'
2025-08-31T09:31:13,253   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz'
2025-08-31T09:31:13,255   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz'
2025-08-31T09:31:13,256   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz'
2025-08-31T09:31:13,257   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz'
2025-08-31T09:31:13,258   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz'
2025-08-31T09:31:13,259   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz'
2025-08-31T09:31:13,261   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz'
2025-08-31T09:31:13,262   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz'
2025-08-31T09:31:13,263   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz'
2025-08-31T09:31:13,264   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz'
2025-08-31T09:31:13,265   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz'
2025-08-31T09:31:13,266   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz'
2025-08-31T09:31:13,268   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz'
2025-08-31T09:31:13,269   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz'
2025-08-31T09:31:13,270   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz'
2025-08-31T09:31:13,271   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz'
2025-08-31T09:31:13,272   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz'
2025-08-31T09:31:13,273   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz'
2025-08-31T09:31:13,274   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz'
2025-08-31T09:31:13,275   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz'
2025-08-31T09:31:13,277   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz'
2025-08-31T09:31:13,278   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz'
2025-08-31T09:31:13,279   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz'
2025-08-31T09:31:13,280   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz'
2025-08-31T09:31:13,282   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz'
2025-08-31T09:31:13,284   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz'
2025-08-31T09:31:13,285   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz'
2025-08-31T09:31:13,287   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz'
2025-08-31T09:31:13,288   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz'
2025-08-31T09:31:13,289   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz'
2025-08-31T09:31:13,290   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz'
2025-08-31T09:31:13,292   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz'
2025-08-31T09:31:13,293   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz'
2025-08-31T09:31:13,294   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz'
2025-08-31T09:31:13,296   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz'
2025-08-31T09:31:13,297   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz'
2025-08-31T09:31:13,298   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz'
2025-08-31T09:31:13,300   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz'
2025-08-31T09:31:13,301   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz'
2025-08-31T09:31:13,302   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz'
2025-08-31T09:31:13,303   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz'
2025-08-31T09:31:13,305   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz'
2025-08-31T09:31:13,306   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz'
2025-08-31T09:31:13,307   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz'
2025-08-31T09:31:13,308   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz'
2025-08-31T09:31:13,309   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz'
2025-08-31T09:31:13,310   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz'
2025-08-31T09:31:13,312   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz'
2025-08-31T09:31:13,313   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz'
2025-08-31T09:31:13,314   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz'
2025-08-31T09:31:13,315   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz'
2025-08-31T09:31:13,316   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz'
2025-08-31T09:31:13,318   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz'
2025-08-31T09:31:13,319   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz'
2025-08-31T09:31:13,320   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz'
2025-08-31T09:31:13,321   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz'
2025-08-31T09:31:13,322   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz'
2025-08-31T09:31:13,324   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz'
2025-08-31T09:31:13,325   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz'
2025-08-31T09:31:13,326   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz'
2025-08-31T09:31:13,327   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz'
2025-08-31T09:31:13,329   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz'
2025-08-31T09:31:13,330   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz'
2025-08-31T09:31:13,331   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz'
2025-08-31T09:31:13,332   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz'
2025-08-31T09:31:13,334   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz'
2025-08-31T09:31:13,335   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz'
2025-08-31T09:31:13,336   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz'
2025-08-31T09:31:13,338   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz'
2025-08-31T09:31:13,339   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz'
2025-08-31T09:31:13,342   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz'
2025-08-31T09:31:13,343   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz'
2025-08-31T09:31:13,344   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz'
2025-08-31T09:31:13,345   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz'
2025-08-31T09:31:13,347   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz'
2025-08-31T09:31:13,348   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz'
2025-08-31T09:31:13,349   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz'
2025-08-31T09:31:13,350   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz'
2025-08-31T09:31:13,352   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz'
2025-08-31T09:31:13,353   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz'
2025-08-31T09:31:13,354   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz'
2025-08-31T09:31:13,355   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz'
2025-08-31T09:31:13,356   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz'
2025-08-31T09:31:13,357   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz'
2025-08-31T09:31:13,358   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz'
2025-08-31T09:31:13,360   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz'
2025-08-31T09:31:13,361   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz'
2025-08-31T09:31:13,362   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz'
2025-08-31T09:31:13,363   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz'
2025-08-31T09:31:13,364   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz'
2025-08-31T09:31:13,366   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz'
2025-08-31T09:31:13,367   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz'
2025-08-31T09:31:13,368   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz'
2025-08-31T09:31:13,369   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz'
2025-08-31T09:31:13,371   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz'
2025-08-31T09:31:13,372   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz'
2025-08-31T09:31:13,373   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz'
2025-08-31T09:31:13,374   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz'
2025-08-31T09:31:13,375   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz'
2025-08-31T09:31:13,376   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz'
2025-08-31T09:31:13,378   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz'
2025-08-31T09:31:13,379   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz'
2025-08-31T09:31:13,380   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz'
2025-08-31T09:31:13,381   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz'
2025-08-31T09:31:13,383   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz'
2025-08-31T09:31:13,384   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz'
2025-08-31T09:31:13,385   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz'
2025-08-31T09:31:13,386   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz'
2025-08-31T09:31:13,387   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz'
2025-08-31T09:31:13,389   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz'
2025-08-31T09:31:13,390   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz'
2025-08-31T09:31:13,391   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz'
2025-08-31T09:31:13,392   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz'
2025-08-31T09:31:13,394   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz'
2025-08-31T09:31:13,395   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz'
2025-08-31T09:31:13,396   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz'
2025-08-31T09:31:13,397   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz'
2025-08-31T09:31:13,399   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz'
2025-08-31T09:31:13,400   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz'
2025-08-31T09:31:13,401   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz'
2025-08-31T09:31:13,402   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz'
2025-08-31T09:31:13,404   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz'
2025-08-31T09:31:13,405   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz'
2025-08-31T09:31:13,406   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz'
2025-08-31T09:31:13,407   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz'
2025-08-31T09:31:13,409   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz'
2025-08-31T09:31:13,410   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz'
2025-08-31T09:31:13,411   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz'
2025-08-31T09:31:13,412   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz'
2025-08-31T09:31:13,413   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz'
2025-08-31T09:31:13,414   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz'
2025-08-31T09:31:13,416   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz'
2025-08-31T09:31:13,417   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz'
2025-08-31T09:31:13,418   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz'
2025-08-31T09:31:13,419   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz'
2025-08-31T09:31:13,420   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz'
2025-08-31T09:31:13,422   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz'
2025-08-31T09:31:13,423   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz'
2025-08-31T09:31:13,424   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz'
2025-08-31T09:31:13,425   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz'
2025-08-31T09:31:13,426   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz'
2025-08-31T09:31:13,429   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz'
2025-08-31T09:31:13,430   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz'
2025-08-31T09:31:13,431   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz'
2025-08-31T09:31:13,432   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz'
2025-08-31T09:31:13,434   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,435   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,436   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz'
2025-08-31T09:31:13,437   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz'
2025-08-31T09:31:13,438   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,440   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,441   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz'
2025-08-31T09:31:13,442   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz'
2025-08-31T09:31:13,443   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,444   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,446   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz'
2025-08-31T09:31:13,447   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,448   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz'
2025-08-31T09:31:13,449   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,451   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,452   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,453   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,455   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,456   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,457   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,458   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,459   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,460   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,461   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz'
2025-08-31T09:31:13,462   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz'
2025-08-31T09:31:13,464   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,465   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,466   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,467   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,468   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,469   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz'
2025-08-31T09:31:13,471   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz'
2025-08-31T09:31:13,472   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz'
2025-08-31T09:31:13,475   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz'
2025-08-31T09:31:13,476   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz'
2025-08-31T09:31:13,477   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz'
2025-08-31T09:31:13,478   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz'
2025-08-31T09:31:13,479   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz'
2025-08-31T09:31:13,481   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz'
2025-08-31T09:31:13,482   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz'
2025-08-31T09:31:13,483   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz'
2025-08-31T09:31:13,485   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz'
2025-08-31T09:31:13,486   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz'
2025-08-31T09:31:13,487   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz'
2025-08-31T09:31:13,489   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz'
2025-08-31T09:31:13,490   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz'
2025-08-31T09:31:13,491   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz'
2025-08-31T09:31:13,493   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz'
2025-08-31T09:31:13,494   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz'
2025-08-31T09:31:13,495   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz'
2025-08-31T09:31:13,497   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz'
2025-08-31T09:31:13,498   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz'
2025-08-31T09:31:13,499   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz'
2025-08-31T09:31:13,501   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz'
2025-08-31T09:31:13,502   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz'
2025-08-31T09:31:13,503   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz'
2025-08-31T09:31:13,504   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz'
2025-08-31T09:31:13,506   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz'
2025-08-31T09:31:13,507   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz'
2025-08-31T09:31:13,508   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz'
2025-08-31T09:31:13,509   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz'
2025-08-31T09:31:13,511   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz'
2025-08-31T09:31:13,512   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz'
2025-08-31T09:31:13,513   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz'
2025-08-31T09:31:13,514   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz'
2025-08-31T09:31:13,515   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz'
2025-08-31T09:31:13,517   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz'
2025-08-31T09:31:13,518   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz'
2025-08-31T09:31:13,519   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz'
2025-08-31T09:31:13,521   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz'
2025-08-31T09:31:13,522   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz'
2025-08-31T09:31:13,524   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz'
2025-08-31T09:31:13,525   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz'
2025-08-31T09:31:13,527   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz'
2025-08-31T09:31:13,529   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz'
2025-08-31T09:31:13,530   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz'
2025-08-31T09:31:13,531   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz'
2025-08-31T09:31:13,532   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz'
2025-08-31T09:31:13,534   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz'
2025-08-31T09:31:13,535   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz'
2025-08-31T09:31:13,536   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz'
2025-08-31T09:31:13,538   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz'
2025-08-31T09:31:13,539   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz'
2025-08-31T09:31:13,540   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz'
2025-08-31T09:31:13,542   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz'
2025-08-31T09:31:13,543   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz'
2025-08-31T09:31:13,544   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz'
2025-08-31T09:31:13,546   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz'
2025-08-31T09:31:13,547   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz'
2025-08-31T09:31:13,548   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz'
2025-08-31T09:31:13,550   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz'
2025-08-31T09:31:13,551   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz'
2025-08-31T09:31:13,552   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz'
2025-08-31T09:31:13,554   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz'
2025-08-31T09:31:13,555   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz'
2025-08-31T09:31:13,556   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz'
2025-08-31T09:31:13,559   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz'
2025-08-31T09:31:13,560   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz'
2025-08-31T09:31:13,561   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz'
2025-08-31T09:31:13,563   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz'
2025-08-31T09:31:13,564   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz'
2025-08-31T09:31:13,565   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz'
2025-08-31T09:31:13,566   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz'
2025-08-31T09:31:13,567   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz'
2025-08-31T09:31:13,569   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz'
2025-08-31T09:31:13,570   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz'
2025-08-31T09:31:13,571   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz'
2025-08-31T09:31:13,572   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz'
2025-08-31T09:31:13,573   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz'
2025-08-31T09:31:13,574   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz'
2025-08-31T09:31:13,575   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz'
2025-08-31T09:31:13,576   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz'
2025-08-31T09:31:13,578   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz'
2025-08-31T09:31:13,579   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz'
2025-08-31T09:31:13,580   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz'
2025-08-31T09:31:13,581   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz'
2025-08-31T09:31:13,582   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz'
2025-08-31T09:31:13,583   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz'
2025-08-31T09:31:13,585   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz'
2025-08-31T09:31:13,586   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz'
2025-08-31T09:31:13,587   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz'
2025-08-31T09:31:13,588   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz'
2025-08-31T09:31:13,589   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz'
2025-08-31T09:31:13,590   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz'
2025-08-31T09:31:13,592   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz'
2025-08-31T09:31:13,593   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz'
2025-08-31T09:31:13,594   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz'
2025-08-31T09:31:13,595   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz'
2025-08-31T09:31:13,596   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz'
2025-08-31T09:31:13,598   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz'
2025-08-31T09:31:13,599   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz'
2025-08-31T09:31:13,600   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz'
2025-08-31T09:31:13,601   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz'
2025-08-31T09:31:13,602   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz'
2025-08-31T09:31:13,604   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz'
2025-08-31T09:31:13,605   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz'
2025-08-31T09:31:13,608   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz'
2025-08-31T09:31:13,609   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz'
2025-08-31T09:31:13,611   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz'
2025-08-31T09:31:13,612   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:31:13,613   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:31:13,614   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:31:13,616   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:31:13,617   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:31:13,618   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:31:13,619   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz'
2025-08-31T09:31:13,621   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz'
2025-08-31T09:31:13,622   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz'
2025-08-31T09:31:13,623   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:31:13,624   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:31:13,625   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:31:13,626   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz'
2025-08-31T09:31:13,627   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz'
2025-08-31T09:31:13,629   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz'
2025-08-31T09:31:13,630   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:31:13,631   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:31:13,632   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:31:13,633   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz'
2025-08-31T09:31:13,635   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz'
2025-08-31T09:31:13,636   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz'
2025-08-31T09:31:13,637   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:31:13,638   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:31:13,639   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:31:13,640   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz'
2025-08-31T09:31:13,641   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz'
2025-08-31T09:31:13,643   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz'
2025-08-31T09:31:13,644   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:31:13,645   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:31:13,646   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:31:13,647   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz'
2025-08-31T09:31:13,649   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz'
2025-08-31T09:31:13,650   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz'
2025-08-31T09:31:13,651   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:31:13,652   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:31:13,653   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:31:13,655   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz'
2025-08-31T09:31:13,656   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz'
2025-08-31T09:31:13,657   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz'
2025-08-31T09:31:13,658   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz'
2025-08-31T09:31:13,660   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz'
2025-08-31T09:31:13,661   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz'
2025-08-31T09:31:13,662   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:31:13,663   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:31:13,665   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:31:13,666   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz'
2025-08-31T09:31:13,667   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz'
2025-08-31T09:31:13,668   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz'
2025-08-31T09:31:13,670   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:31:13,671   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:31:13,672   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:31:13,673   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz'
2025-08-31T09:31:13,674   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz'
2025-08-31T09:31:13,675   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz'
2025-08-31T09:31:13,676   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:31:13,678   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:31:13,679   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:31:13,680   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:31:13,681   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:31:13,682   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:31:13,683   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz'
2025-08-31T09:31:13,685   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz'
2025-08-31T09:31:13,686   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz'
2025-08-31T09:31:13,687   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:31:13,688   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:31:13,690   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:31:13,691   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:31:13,692   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:31:13,693   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:31:13,694   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz'
2025-08-31T09:31:13,696   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz'
2025-08-31T09:31:13,697   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz'
2025-08-31T09:31:13,698   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz'
2025-08-31T09:31:13,699   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz'
2025-08-31T09:31:13,701   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz'
2025-08-31T09:31:13,702   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz'
2025-08-31T09:31:13,703   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz'
2025-08-31T09:31:13,704   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz'
2025-08-31T09:31:13,706   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz'
2025-08-31T09:31:13,707   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz'
2025-08-31T09:31:13,708   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz'
2025-08-31T09:31:13,709   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz'
2025-08-31T09:31:13,711   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz'
2025-08-31T09:31:13,712   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz'
2025-08-31T09:31:13,713   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz'
2025-08-31T09:31:13,714   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz'
2025-08-31T09:31:13,715   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz'
2025-08-31T09:31:13,718   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz'
2025-08-31T09:31:13,719   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz'
2025-08-31T09:31:13,720   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz'
2025-08-31T09:31:13,721   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz'
2025-08-31T09:31:13,722   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz'
2025-08-31T09:31:13,723   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz'
2025-08-31T09:31:13,724   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz'
2025-08-31T09:31:13,726   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz'
2025-08-31T09:31:13,727   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz'
2025-08-31T09:31:13,728   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz'
2025-08-31T09:31:13,729   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz'
2025-08-31T09:31:13,730   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz'
2025-08-31T09:31:13,732   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz'
2025-08-31T09:31:13,733   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz'
2025-08-31T09:31:13,734   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz'
2025-08-31T09:31:13,735   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz'
2025-08-31T09:31:13,736   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz'
2025-08-31T09:31:13,737   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz'
2025-08-31T09:31:13,739   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz'
2025-08-31T09:31:13,740   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz'
2025-08-31T09:31:13,741   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz'
2025-08-31T09:31:13,742   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz'
2025-08-31T09:31:13,743   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz'
2025-08-31T09:31:13,744   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz'
2025-08-31T09:31:13,746   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz'
2025-08-31T09:31:13,747   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz'
2025-08-31T09:31:13,748   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz'
2025-08-31T09:31:13,749   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz'
2025-08-31T09:31:13,751   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz'
2025-08-31T09:31:13,752   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz'
2025-08-31T09:31:13,753   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz'
2025-08-31T09:31:13,754   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz'
2025-08-31T09:31:13,755   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz'
2025-08-31T09:31:13,758   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz'
2025-08-31T09:31:13,759   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz'
2025-08-31T09:31:13,760   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz'
2025-08-31T09:31:13,761   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz'
2025-08-31T09:31:13,763   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz'
2025-08-31T09:31:13,764   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz'
2025-08-31T09:31:13,765   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz'
2025-08-31T09:31:13,766   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz'
2025-08-31T09:31:13,767   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz'
2025-08-31T09:31:13,769   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz'
2025-08-31T09:31:13,770   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz'
2025-08-31T09:31:13,771   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz'
2025-08-31T09:31:13,772   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz'
2025-08-31T09:31:13,773   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz'
2025-08-31T09:31:13,774   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz'
2025-08-31T09:31:13,776   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz'
2025-08-31T09:31:13,777   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz'
2025-08-31T09:31:13,778   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz'
2025-08-31T09:31:13,779   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz'
2025-08-31T09:31:13,780   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz'
2025-08-31T09:31:13,781   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz'
2025-08-31T09:31:13,783   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz'
2025-08-31T09:31:13,784   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz'
2025-08-31T09:31:13,785   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz'
2025-08-31T09:31:13,786   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz'
2025-08-31T09:31:13,787   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz'
2025-08-31T09:31:13,788   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz'
2025-08-31T09:31:13,790   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz'
2025-08-31T09:31:13,791   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz'
2025-08-31T09:31:13,792   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz'
2025-08-31T09:31:13,793   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz'
2025-08-31T09:31:13,794   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz'
2025-08-31T09:31:13,796   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz'
2025-08-31T09:31:13,798   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz'
2025-08-31T09:31:13,799   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz'
2025-08-31T09:31:13,800   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz'
2025-08-31T09:31:13,801   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz'
2025-08-31T09:31:13,802   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz'
2025-08-31T09:31:13,803   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz'
2025-08-31T09:31:13,805   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz'
2025-08-31T09:31:13,806   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz'
2025-08-31T09:31:13,807   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz'
2025-08-31T09:31:13,808   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz'
2025-08-31T09:31:13,809   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz'
2025-08-31T09:31:13,811   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz'
2025-08-31T09:31:13,812   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz'
2025-08-31T09:31:13,813   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz'
2025-08-31T09:31:13,814   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz'
2025-08-31T09:31:13,816   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz'
2025-08-31T09:31:13,817   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz'
2025-08-31T09:31:13,818   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz'
2025-08-31T09:31:13,820   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz'
2025-08-31T09:31:13,821   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz'
2025-08-31T09:31:13,822   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz'
2025-08-31T09:31:13,824   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz'
2025-08-31T09:31:13,825   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz'
2025-08-31T09:31:13,826   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz'
2025-08-31T09:31:13,827   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz'
2025-08-31T09:31:13,828   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz'
2025-08-31T09:31:13,831   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz'
2025-08-31T09:31:13,832   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz'
2025-08-31T09:31:13,833   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz'
2025-08-31T09:31:13,834   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz'
2025-08-31T09:31:13,836   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz'
2025-08-31T09:31:13,837   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz'
2025-08-31T09:31:13,838   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz'
2025-08-31T09:31:13,840   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz'
2025-08-31T09:31:13,841   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz'
2025-08-31T09:31:13,842   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz'
2025-08-31T09:31:13,843   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz'
2025-08-31T09:31:13,844   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz'
2025-08-31T09:31:13,845   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz'
2025-08-31T09:31:13,847   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz'
2025-08-31T09:31:13,848   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz'
2025-08-31T09:31:13,849   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz'
2025-08-31T09:31:13,850   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz'
2025-08-31T09:31:13,851   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz'
2025-08-31T09:31:13,853   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz'
2025-08-31T09:31:13,854   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz'
2025-08-31T09:31:13,855   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz'
2025-08-31T09:31:13,856   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz'
2025-08-31T09:31:13,857   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz'
2025-08-31T09:31:13,858   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz'
2025-08-31T09:31:13,860   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz'
2025-08-31T09:31:13,861   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz'
2025-08-31T09:31:13,862   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz'
2025-08-31T09:31:13,863   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz'
2025-08-31T09:31:13,865   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz'
2025-08-31T09:31:13,866   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz'
2025-08-31T09:31:13,867   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz'
2025-08-31T09:31:13,871   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz'
2025-08-31T09:31:13,872   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz'
2025-08-31T09:31:13,873   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz'
2025-08-31T09:31:13,875   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz'
2025-08-31T09:31:13,876   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz'
2025-08-31T09:31:13,877   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz'
2025-08-31T09:31:13,878   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz'
2025-08-31T09:31:13,880   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz'
2025-08-31T09:31:13,881   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz'
2025-08-31T09:31:13,882   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz'
2025-08-31T09:31:13,883   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz'
2025-08-31T09:31:13,884   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz'
2025-08-31T09:31:13,885   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz'
2025-08-31T09:31:13,887   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz'
2025-08-31T09:31:13,888   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz'
2025-08-31T09:31:13,889   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz'
2025-08-31T09:31:13,890   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz'
2025-08-31T09:31:13,892   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz'
2025-08-31T09:31:13,893   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz'
2025-08-31T09:31:13,894   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz'
2025-08-31T09:31:13,895   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz'
2025-08-31T09:31:13,896   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz'
2025-08-31T09:31:13,898   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz'
2025-08-31T09:31:13,899   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz'
2025-08-31T09:31:13,900   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz'
2025-08-31T09:31:13,901   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz'
2025-08-31T09:31:13,902   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz'
2025-08-31T09:31:13,904   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz'
2025-08-31T09:31:13,905   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz'
2025-08-31T09:31:13,906   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz'
2025-08-31T09:31:13,907   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz'
2025-08-31T09:31:13,908   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz'
2025-08-31T09:31:13,910   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz'
2025-08-31T09:31:13,911   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz'
2025-08-31T09:31:13,912   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz'
2025-08-31T09:31:13,913   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz'
2025-08-31T09:31:13,915   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz'
2025-08-31T09:31:13,916   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz'
2025-08-31T09:31:13,917   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz'
2025-08-31T09:31:13,918   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz'
2025-08-31T09:31:13,920   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz'
2025-08-31T09:31:13,921   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz'
2025-08-31T09:31:13,922   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz'
2025-08-31T09:31:13,923   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz'
2025-08-31T09:31:13,924   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz'
2025-08-31T09:31:13,926   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz'
2025-08-31T09:31:13,927   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz'
2025-08-31T09:31:13,928   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz'
2025-08-31T09:31:13,929   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz'
2025-08-31T09:31:13,930   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz'
2025-08-31T09:31:13,931   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz'
2025-08-31T09:31:13,932   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz'
2025-08-31T09:31:13,934   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz'
2025-08-31T09:31:13,935   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz'
2025-08-31T09:31:13,936   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz'
2025-08-31T09:31:13,937   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz'
2025-08-31T09:31:13,938   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz'
2025-08-31T09:31:13,940   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz'
2025-08-31T09:31:13,941   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz'
2025-08-31T09:31:13,942   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz'
2025-08-31T09:31:13,943   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz'
2025-08-31T09:31:13,944   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz'
2025-08-31T09:31:13,945   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz'
2025-08-31T09:31:13,946   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz'
2025-08-31T09:31:13,948   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz'
2025-08-31T09:31:13,949   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz'
2025-08-31T09:31:13,950   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz'
2025-08-31T09:31:13,951   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz'
2025-08-31T09:31:13,952   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz'
2025-08-31T09:31:13,954   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz'
2025-08-31T09:31:13,955   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz'
2025-08-31T09:31:13,956   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz'
2025-08-31T09:31:13,957   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz'
2025-08-31T09:31:13,959   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz'
2025-08-31T09:31:13,960   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz'
2025-08-31T09:31:13,961   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz'
2025-08-31T09:31:13,962   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz'
2025-08-31T09:31:13,963   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz'
2025-08-31T09:31:13,965   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz'
2025-08-31T09:31:13,966   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz'
2025-08-31T09:31:13,967   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz'
2025-08-31T09:31:13,969   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz'
2025-08-31T09:31:13,970   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz'
2025-08-31T09:31:13,971   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz'
2025-08-31T09:31:13,972   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz'
2025-08-31T09:31:13,974   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz'
2025-08-31T09:31:13,975   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz'
2025-08-31T09:31:13,976   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz'
2025-08-31T09:31:13,977   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz'
2025-08-31T09:31:13,979   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz'
2025-08-31T09:31:13,980   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz'
2025-08-31T09:31:13,981   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz'
2025-08-31T09:31:13,982   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz'
2025-08-31T09:31:13,983   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz'
2025-08-31T09:31:13,984   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz'
2025-08-31T09:31:13,985   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz'
2025-08-31T09:31:13,987   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz'
2025-08-31T09:31:13,988   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz'
2025-08-31T09:31:13,989   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz'
2025-08-31T09:31:13,990   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz'
2025-08-31T09:31:13,991   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz'
2025-08-31T09:31:13,993   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz'
2025-08-31T09:31:13,994   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz'
2025-08-31T09:31:13,995   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz'
2025-08-31T09:31:13,996   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz'
2025-08-31T09:31:13,997   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz'
2025-08-31T09:31:13,999   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz'
2025-08-31T09:31:14,000   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz'
2025-08-31T09:31:14,001   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz'
2025-08-31T09:31:14,002   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz'
2025-08-31T09:31:14,003   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz'
2025-08-31T09:31:14,005   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz'
2025-08-31T09:31:14,006   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz'
2025-08-31T09:31:14,007   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz'
2025-08-31T09:31:14,008   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz'
2025-08-31T09:31:14,009   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz'
2025-08-31T09:31:14,011   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz'
2025-08-31T09:31:14,012   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz'
2025-08-31T09:31:14,013   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz'
2025-08-31T09:31:14,014   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz'
2025-08-31T09:31:14,016   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz'
2025-08-31T09:31:14,017   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz'
2025-08-31T09:31:14,018   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz'
2025-08-31T09:31:14,020   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz'
2025-08-31T09:31:14,021   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz'
2025-08-31T09:31:14,023   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz'
2025-08-31T09:31:14,025   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz'
2025-08-31T09:31:14,026   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz'
2025-08-31T09:31:14,028   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz'
2025-08-31T09:31:14,031   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz'
2025-08-31T09:31:14,033   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz'
2025-08-31T09:31:14,035   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz'
2025-08-31T09:31:14,036   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz'
2025-08-31T09:31:14,037   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz'
2025-08-31T09:31:14,040   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz'
2025-08-31T09:31:14,043   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz'
2025-08-31T09:31:14,045   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz'
2025-08-31T09:31:14,049   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz'
2025-08-31T09:31:14,052   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz'
2025-08-31T09:31:14,055   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz'
2025-08-31T09:31:14,059   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz'
2025-08-31T09:31:14,063   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz'
2025-08-31T09:31:14,067   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz'
2025-08-31T09:31:14,070   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz'
2025-08-31T09:31:14,074   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz'
2025-08-31T09:31:14,078   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz'
2025-08-31T09:31:14,082   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz'
2025-08-31T09:31:14,086   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz'
2025-08-31T09:31:14,093   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz'
2025-08-31T09:31:14,097   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz'
2025-08-31T09:31:14,101   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz'
2025-08-31T09:31:14,105   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz'
2025-08-31T09:31:14,110   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz'
2025-08-31T09:31:14,113   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz'
2025-08-31T09:31:14,115   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz'
2025-08-31T09:31:14,117   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz'
2025-08-31T09:31:14,118   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz'
2025-08-31T09:31:14,120   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz'
2025-08-31T09:31:14,122   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz'
2025-08-31T09:31:14,124   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz'
2025-08-31T09:31:14,126   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz'
2025-08-31T09:31:14,127   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz'
2025-08-31T09:31:14,129   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz'
2025-08-31T09:31:14,131   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz'
2025-08-31T09:31:14,133   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz'
2025-08-31T09:31:14,135   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz'
2025-08-31T09:31:14,136   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz'
2025-08-31T09:31:14,138   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz'
2025-08-31T09:31:14,140   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz'
2025-08-31T09:31:14,142   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz'
2025-08-31T09:31:14,143   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz'
2025-08-31T09:31:14,145   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz'
2025-08-31T09:31:14,146   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz'
2025-08-31T09:31:14,147   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz'
2025-08-31T09:31:14,149   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz'
2025-08-31T09:31:14,150   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz'
2025-08-31T09:31:14,151   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz'
2025-08-31T09:31:14,153   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz'
2025-08-31T09:31:14,154   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz'
2025-08-31T09:31:14,155   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz'
2025-08-31T09:31:14,157   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz'
2025-08-31T09:31:14,162   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz'
2025-08-31T09:31:14,163   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz'
2025-08-31T09:31:14,165   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz'
2025-08-31T09:31:14,166   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz'
2025-08-31T09:31:14,167   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz'
2025-08-31T09:31:14,169   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz'
2025-08-31T09:31:14,170   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz'
2025-08-31T09:31:14,171   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz'
2025-08-31T09:31:14,172   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz'
2025-08-31T09:31:14,174   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz'
2025-08-31T09:31:14,175   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz'
2025-08-31T09:31:14,176   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz'
2025-08-31T09:31:14,177   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz'
2025-08-31T09:31:14,179   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz'
2025-08-31T09:31:14,180   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz'
2025-08-31T09:31:14,181   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz'
2025-08-31T09:31:14,183   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz'
2025-08-31T09:31:14,184   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz'
2025-08-31T09:31:14,186   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz'
2025-08-31T09:31:14,187   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz'
2025-08-31T09:31:14,188   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz'
2025-08-31T09:31:14,190   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz'
2025-08-31T09:31:14,191   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz'
2025-08-31T09:31:14,192   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz'
2025-08-31T09:31:14,193   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz'
2025-08-31T09:31:14,195   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz'
2025-08-31T09:31:14,196   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz'
2025-08-31T09:31:14,197   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz'
2025-08-31T09:31:14,198   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz'
2025-08-31T09:31:14,199   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz'
2025-08-31T09:31:14,200   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz'
2025-08-31T09:31:14,202   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz'
2025-08-31T09:31:14,203   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz'
2025-08-31T09:31:14,204   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz'
2025-08-31T09:31:14,205   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz'
2025-08-31T09:31:14,206   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz'
2025-08-31T09:31:14,207   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz'
2025-08-31T09:31:14,209   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz'
2025-08-31T09:31:14,210   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz'
2025-08-31T09:31:14,211   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz'
2025-08-31T09:31:14,212   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz'
2025-08-31T09:31:14,214   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz'
2025-08-31T09:31:14,215   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz'
2025-08-31T09:31:14,216   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz'
2025-08-31T09:31:14,217   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz'
2025-08-31T09:31:14,218   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz'
2025-08-31T09:31:14,220   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz'
2025-08-31T09:31:14,221   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz'
2025-08-31T09:31:14,222   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz'
2025-08-31T09:31:14,223   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz'
2025-08-31T09:31:14,225   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz'
2025-08-31T09:31:14,226   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz'
2025-08-31T09:31:14,227   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz'
2025-08-31T09:31:14,229   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz'
2025-08-31T09:31:14,230   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz'
2025-08-31T09:31:14,231   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz'
2025-08-31T09:31:14,232   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz'
2025-08-31T09:31:14,234   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz'
2025-08-31T09:31:14,235   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz'
2025-08-31T09:31:14,236   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz'
2025-08-31T09:31:14,237   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz'
2025-08-31T09:31:14,239   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz'
2025-08-31T09:31:14,240   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz'
2025-08-31T09:31:14,241   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz'
2025-08-31T09:31:14,242   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz'
2025-08-31T09:31:14,244   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz'
2025-08-31T09:31:14,245   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz'
2025-08-31T09:31:14,246   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz'
2025-08-31T09:31:14,247   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz'
2025-08-31T09:31:14,249   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz'
2025-08-31T09:31:14,250   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz'
2025-08-31T09:31:14,251   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz'
2025-08-31T09:31:14,253   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz'
2025-08-31T09:31:14,254   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz'
2025-08-31T09:31:14,255   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz'
2025-08-31T09:31:14,256   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz'
2025-08-31T09:31:14,258   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz'
2025-08-31T09:31:14,259   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz'
2025-08-31T09:31:14,260   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz'
2025-08-31T09:31:14,261   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz'
2025-08-31T09:31:14,263   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz'
2025-08-31T09:31:14,264   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz'
2025-08-31T09:31:14,265   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz'
2025-08-31T09:31:14,266   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz'
2025-08-31T09:31:14,267   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz'
2025-08-31T09:31:14,269   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz'
2025-08-31T09:31:14,270   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz'
2025-08-31T09:31:14,271   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz'
2025-08-31T09:31:14,272   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz'
2025-08-31T09:31:14,274   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz'
2025-08-31T09:31:14,275   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz'
2025-08-31T09:31:14,276   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz'
2025-08-31T09:31:14,277   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz'
2025-08-31T09:31:14,279   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz'
2025-08-31T09:31:14,280   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz'
2025-08-31T09:31:14,281   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz'
2025-08-31T09:31:14,282   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz'
2025-08-31T09:31:14,283   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz'
2025-08-31T09:31:14,285   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz'
2025-08-31T09:31:14,286   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz'
2025-08-31T09:31:14,287   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz'
2025-08-31T09:31:14,288   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz'
2025-08-31T09:31:14,290   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz'
2025-08-31T09:31:14,291   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz'
2025-08-31T09:31:14,292   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz'
2025-08-31T09:31:14,294   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz'
2025-08-31T09:31:14,295   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz'
2025-08-31T09:31:14,296   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz'
2025-08-31T09:31:14,297   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz'
2025-08-31T09:31:14,298   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz'
2025-08-31T09:31:14,300   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz'
2025-08-31T09:31:14,301   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz'
2025-08-31T09:31:14,302   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz'
2025-08-31T09:31:14,303   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz'
2025-08-31T09:31:14,304   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz'
2025-08-31T09:31:14,306   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz'
2025-08-31T09:31:14,307   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz'
2025-08-31T09:31:14,308   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz'
2025-08-31T09:31:14,310   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz'
2025-08-31T09:31:14,311   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz'
2025-08-31T09:31:14,312   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz'
2025-08-31T09:31:14,314   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz'
2025-08-31T09:31:14,315   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz'
2025-08-31T09:31:14,316   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz'
2025-08-31T09:31:14,317   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz'
2025-08-31T09:31:14,319   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz'
2025-08-31T09:31:14,320   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz'
2025-08-31T09:31:14,321   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz'
2025-08-31T09:31:14,322   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz'
2025-08-31T09:31:14,324   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz'
2025-08-31T09:31:14,325   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz'
2025-08-31T09:31:14,326   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz'
2025-08-31T09:31:14,327   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz'
2025-08-31T09:31:14,329   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz'
2025-08-31T09:31:14,330   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz'
2025-08-31T09:31:14,331   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz'
2025-08-31T09:31:14,332   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz'
2025-08-31T09:31:14,334   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz'
2025-08-31T09:31:14,335   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz'
2025-08-31T09:31:14,336   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz'
2025-08-31T09:31:14,337   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz'
2025-08-31T09:31:14,339   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz'
2025-08-31T09:31:14,340   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz'
2025-08-31T09:31:14,341   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz'
2025-08-31T09:31:14,342   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz'
2025-08-31T09:31:14,344   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz'
2025-08-31T09:31:14,345   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz'
2025-08-31T09:31:14,346   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz'
2025-08-31T09:31:14,347   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz'
2025-08-31T09:31:14,348   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz'
2025-08-31T09:31:14,349   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz'
2025-08-31T09:31:14,350   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz'
2025-08-31T09:31:14,352   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz'
2025-08-31T09:31:14,353   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz'
2025-08-31T09:31:14,354   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz'
2025-08-31T09:31:14,355   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz'
2025-08-31T09:31:14,356   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz'
2025-08-31T09:31:14,357   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz'
2025-08-31T09:31:14,359   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz'
2025-08-31T09:31:14,360   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz'
2025-08-31T09:31:14,361   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz'
2025-08-31T09:31:14,363   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz'
2025-08-31T09:31:14,365   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz'
2025-08-31T09:31:14,367   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz'
2025-08-31T09:31:14,368   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz'
2025-08-31T09:31:14,370   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz'
2025-08-31T09:31:14,371   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz'
2025-08-31T09:31:14,372   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz'
2025-08-31T09:31:14,373   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz'
2025-08-31T09:31:14,374   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz'
2025-08-31T09:31:14,376   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz'
2025-08-31T09:31:14,377   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz'
2025-08-31T09:31:14,378   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz'
2025-08-31T09:31:14,380   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz'
2025-08-31T09:31:14,381   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz'
2025-08-31T09:31:14,382   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz'
2025-08-31T09:31:14,383   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz'
2025-08-31T09:31:14,385   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz'
2025-08-31T09:31:14,386   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz'
2025-08-31T09:31:14,387   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz'
2025-08-31T09:31:14,389   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz'
2025-08-31T09:31:14,390   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz'
2025-08-31T09:31:14,391   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz'
2025-08-31T09:31:14,393   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz'
2025-08-31T09:31:14,394   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz'
2025-08-31T09:31:14,395   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz'
2025-08-31T09:31:14,397   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz'
2025-08-31T09:31:14,398   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz'
2025-08-31T09:31:14,399   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz'
2025-08-31T09:31:14,400   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz'
2025-08-31T09:31:14,401   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz'
2025-08-31T09:31:14,403   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz'
2025-08-31T09:31:14,404   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz'
2025-08-31T09:31:14,405   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz'
2025-08-31T09:31:14,406   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz'
2025-08-31T09:31:14,407   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz'
2025-08-31T09:31:14,409   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz'
2025-08-31T09:31:14,410   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz'
2025-08-31T09:31:14,411   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz'
2025-08-31T09:31:14,412   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz'
2025-08-31T09:31:14,414   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz'
2025-08-31T09:31:14,415   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz'
2025-08-31T09:31:14,416   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz'
2025-08-31T09:31:14,418   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz'
2025-08-31T09:31:14,419   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz'
2025-08-31T09:31:14,421   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz'
2025-08-31T09:31:14,422   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz'
2025-08-31T09:31:14,423   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz'
2025-08-31T09:31:14,424   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz'
2025-08-31T09:31:14,425   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz'
2025-08-31T09:31:14,426   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz'
2025-08-31T09:31:14,428   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz'
2025-08-31T09:31:14,429   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz'
2025-08-31T09:31:14,430   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz'
2025-08-31T09:31:14,431   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz'
2025-08-31T09:31:14,433   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz'
2025-08-31T09:31:14,434   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz'
2025-08-31T09:31:14,435   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz'
2025-08-31T09:31:14,436   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz'
2025-08-31T09:31:14,438   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz'
2025-08-31T09:31:14,439   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz'
2025-08-31T09:31:14,440   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz'
2025-08-31T09:31:14,441   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz'
2025-08-31T09:31:14,442   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz'
2025-08-31T09:31:14,444   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz'
2025-08-31T09:31:14,446   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz'
2025-08-31T09:31:14,447   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz'
2025-08-31T09:31:14,449   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz'
2025-08-31T09:31:14,450   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz'
2025-08-31T09:31:14,451   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz'
2025-08-31T09:31:14,452   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz'
2025-08-31T09:31:14,453   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz'
2025-08-31T09:31:14,454   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz'
2025-08-31T09:31:14,455   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz'
2025-08-31T09:31:14,456   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz'
2025-08-31T09:31:14,457   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz'
2025-08-31T09:31:14,458   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz'
2025-08-31T09:31:14,460   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz'
2025-08-31T09:31:14,461   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz'
2025-08-31T09:31:14,462   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz'
2025-08-31T09:31:14,463   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz'
2025-08-31T09:31:14,464   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz'
2025-08-31T09:31:14,466   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz'
2025-08-31T09:31:14,467   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz'
2025-08-31T09:31:14,468   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz'
2025-08-31T09:31:14,469   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz'
2025-08-31T09:31:14,470   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz'
2025-08-31T09:31:14,471   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz'
2025-08-31T09:31:14,472   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz'
2025-08-31T09:31:14,474   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz'
2025-08-31T09:31:14,475   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz'
2025-08-31T09:31:14,476   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz'
2025-08-31T09:31:14,477   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz'
2025-08-31T09:31:14,478   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz'
2025-08-31T09:31:14,479   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz'
2025-08-31T09:31:14,481   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz'
2025-08-31T09:31:14,482   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz'
2025-08-31T09:31:14,483   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz'
2025-08-31T09:31:14,484   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz'
2025-08-31T09:31:14,485   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz'
2025-08-31T09:31:14,486   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz'
2025-08-31T09:31:14,488   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz'
2025-08-31T09:31:14,489   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz'
2025-08-31T09:31:14,490   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz'
2025-08-31T09:31:14,491   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz'
2025-08-31T09:31:14,493   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz'
2025-08-31T09:31:14,494   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz'
2025-08-31T09:31:14,495   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz'
2025-08-31T09:31:14,496   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz'
2025-08-31T09:31:14,497   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz'
2025-08-31T09:31:14,500   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz'
2025-08-31T09:31:14,501   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz'
2025-08-31T09:31:14,502   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz'
2025-08-31T09:31:14,504   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz'
2025-08-31T09:31:14,505   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz'
2025-08-31T09:31:14,506   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz'
2025-08-31T09:31:14,507   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz'
2025-08-31T09:31:14,509   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz'
2025-08-31T09:31:14,511   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz'
2025-08-31T09:31:14,512   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz'
2025-08-31T09:31:14,514   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz'
2025-08-31T09:31:14,516   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz'
2025-08-31T09:31:14,517   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz'
2025-08-31T09:31:14,518   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz'
2025-08-31T09:31:14,520   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz'
2025-08-31T09:31:14,521   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz'
2025-08-31T09:31:14,522   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz'
2025-08-31T09:31:14,523   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz'
2025-08-31T09:31:14,524   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz'
2025-08-31T09:31:14,526   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz'
2025-08-31T09:31:14,527   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz'
2025-08-31T09:31:14,528   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz'
2025-08-31T09:31:14,529   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz'
2025-08-31T09:31:14,531   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz'
2025-08-31T09:31:14,532   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz'
2025-08-31T09:31:14,533   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz'
2025-08-31T09:31:14,534   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz'
2025-08-31T09:31:14,535   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz'
2025-08-31T09:31:14,537   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz'
2025-08-31T09:31:14,538   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz'
2025-08-31T09:31:14,539   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz'
2025-08-31T09:31:14,541   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz'
2025-08-31T09:31:14,542   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz'
2025-08-31T09:31:14,543   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz'
2025-08-31T09:31:14,544   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz'
2025-08-31T09:31:14,545   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz'
2025-08-31T09:31:14,547   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz'
2025-08-31T09:31:14,548   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz'
2025-08-31T09:31:14,549   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz'
2025-08-31T09:31:14,550   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz'
2025-08-31T09:31:14,552   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz'
2025-08-31T09:31:14,553   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz'
2025-08-31T09:31:14,554   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz'
2025-08-31T09:31:14,555   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz'
2025-08-31T09:31:14,556   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz'
2025-08-31T09:31:14,557   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz'
2025-08-31T09:31:14,559   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz'
2025-08-31T09:31:14,560   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz'
2025-08-31T09:31:14,561   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz'
2025-08-31T09:31:14,563   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz'
2025-08-31T09:31:14,564   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz'
2025-08-31T09:31:14,565   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz'
2025-08-31T09:31:14,566   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz'
2025-08-31T09:31:14,567   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz'
2025-08-31T09:31:14,568   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz'
2025-08-31T09:31:14,570   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz'
2025-08-31T09:31:14,573   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz'
2025-08-31T09:31:14,574   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz'
2025-08-31T09:31:14,575   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz'
2025-08-31T09:31:14,576   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz'
2025-08-31T09:31:14,577   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz'
2025-08-31T09:31:14,579   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz'
2025-08-31T09:31:14,581   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz'
2025-08-31T09:31:14,582   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz'
2025-08-31T09:31:14,583   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz'
2025-08-31T09:31:14,584   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz'
2025-08-31T09:31:14,586   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz'
2025-08-31T09:31:14,587   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz'
2025-08-31T09:31:14,589   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz'
2025-08-31T09:31:14,590   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz'
2025-08-31T09:31:14,591   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz'
2025-08-31T09:31:14,592   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz'
2025-08-31T09:31:14,594   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz'
2025-08-31T09:31:14,595   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz'
2025-08-31T09:31:14,596   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz'
2025-08-31T09:31:14,598   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz'
2025-08-31T09:31:14,600   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz'
2025-08-31T09:31:14,601   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz'
2025-08-31T09:31:14,603   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz'
2025-08-31T09:31:14,604   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz'
2025-08-31T09:31:14,605   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz'
2025-08-31T09:31:14,607   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz'
2025-08-31T09:31:14,608   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz'
2025-08-31T09:31:14,609   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz'
2025-08-31T09:31:14,611   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz'
2025-08-31T09:31:14,612   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz'
2025-08-31T09:31:14,613   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz'
2025-08-31T09:31:14,614   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz'
2025-08-31T09:31:14,615   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz'
2025-08-31T09:31:14,617   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz'
2025-08-31T09:31:14,618   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz'
2025-08-31T09:31:14,619   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz'
2025-08-31T09:31:14,620   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz'
2025-08-31T09:31:14,622   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz'
2025-08-31T09:31:14,623   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz'
2025-08-31T09:31:14,624   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz'
2025-08-31T09:31:14,625   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz'
2025-08-31T09:31:14,627   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz'
2025-08-31T09:31:14,628   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz'
2025-08-31T09:31:14,629   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz'
2025-08-31T09:31:14,640   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz'
2025-08-31T09:31:14,641   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz'
2025-08-31T09:31:14,643   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz'
2025-08-31T09:31:14,644   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz'
2025-08-31T09:31:14,645   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz'
2025-08-31T09:31:14,646   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz'
2025-08-31T09:31:14,647   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz'
2025-08-31T09:31:14,649   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz'
2025-08-31T09:31:14,650   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz'
2025-08-31T09:31:14,651   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz'
2025-08-31T09:31:14,652   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz'
2025-08-31T09:31:14,654   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz'
2025-08-31T09:31:14,655   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz'
2025-08-31T09:31:14,656   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz'
2025-08-31T09:31:14,657   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz'
2025-08-31T09:31:14,659   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz'
2025-08-31T09:31:14,660   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz'
2025-08-31T09:31:14,661   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz'
2025-08-31T09:31:14,662   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz'
2025-08-31T09:31:14,664   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz'
2025-08-31T09:31:14,665   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz'
2025-08-31T09:31:14,666   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz'
2025-08-31T09:31:14,667   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz'
2025-08-31T09:31:14,669   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz'
2025-08-31T09:31:14,670   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz'
2025-08-31T09:31:14,671   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz'
2025-08-31T09:31:14,672   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz'
2025-08-31T09:31:14,673   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz'
2025-08-31T09:31:14,674   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz'
2025-08-31T09:31:14,675   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz'
2025-08-31T09:31:14,676   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz'
2025-08-31T09:31:14,677   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz'
2025-08-31T09:31:14,678   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz'
2025-08-31T09:31:14,680   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz'
2025-08-31T09:31:14,681   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz'
2025-08-31T09:31:14,682   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz'
2025-08-31T09:31:14,683   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz'
2025-08-31T09:31:14,684   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz'
2025-08-31T09:31:14,685   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz'
2025-08-31T09:31:14,686   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz'
2025-08-31T09:31:14,688   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz'
2025-08-31T09:31:14,689   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz'
2025-08-31T09:31:14,690   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz'
2025-08-31T09:31:14,691   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz'
2025-08-31T09:31:14,692   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz'
2025-08-31T09:31:14,693   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz'
2025-08-31T09:31:14,694   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz'
2025-08-31T09:31:14,696   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz'
2025-08-31T09:31:14,697   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz'
2025-08-31T09:31:14,698   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz'
2025-08-31T09:31:14,699   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz'
2025-08-31T09:31:14,700   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz'
2025-08-31T09:31:14,701   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz'
2025-08-31T09:31:14,703   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz'
2025-08-31T09:31:14,704   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz'
2025-08-31T09:31:14,705   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz'
2025-08-31T09:31:14,706   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz'
2025-08-31T09:31:14,707   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz'
2025-08-31T09:31:14,708   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz'
2025-08-31T09:31:14,710   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz'
2025-08-31T09:31:14,711   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz'
2025-08-31T09:31:14,712   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz'
2025-08-31T09:31:14,713   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz'
2025-08-31T09:31:14,715   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz'
2025-08-31T09:31:14,716   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz'
2025-08-31T09:31:14,717   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz'
2025-08-31T09:31:14,718   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz'
2025-08-31T09:31:14,719   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz'
2025-08-31T09:31:14,721   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz'
2025-08-31T09:31:14,722   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz'
2025-08-31T09:31:14,723   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz'
2025-08-31T09:31:14,724   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz'
2025-08-31T09:31:14,725   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz'
2025-08-31T09:31:14,726   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz'
2025-08-31T09:31:14,727   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz'
2025-08-31T09:31:14,728   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz'
2025-08-31T09:31:14,729   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz'
2025-08-31T09:31:14,731   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz'
2025-08-31T09:31:14,732   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz'
2025-08-31T09:31:14,733   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz'
2025-08-31T09:31:14,734   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz'
2025-08-31T09:31:14,736   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz'
2025-08-31T09:31:14,737   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz'
2025-08-31T09:31:14,739   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz'
2025-08-31T09:31:14,740   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz'
2025-08-31T09:31:14,742   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz'
2025-08-31T09:31:14,743   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz'
2025-08-31T09:31:14,745   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz'
2025-08-31T09:31:14,746   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz'
2025-08-31T09:31:14,747   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz'
2025-08-31T09:31:14,748   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz'
2025-08-31T09:31:14,749   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz'
2025-08-31T09:31:14,750   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz'
2025-08-31T09:31:14,752   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz'
2025-08-31T09:31:14,753   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz'
2025-08-31T09:31:14,754   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz'
2025-08-31T09:31:14,755   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz'
2025-08-31T09:31:14,756   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz'
2025-08-31T09:31:14,758   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz'
2025-08-31T09:31:14,759   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz'
2025-08-31T09:31:14,760   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz'
2025-08-31T09:31:14,761   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz'
2025-08-31T09:31:14,762   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz'
2025-08-31T09:31:14,764   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz'
2025-08-31T09:31:14,765   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz'
2025-08-31T09:31:14,766   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz'
2025-08-31T09:31:14,767   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz'
2025-08-31T09:31:14,769   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz'
2025-08-31T09:31:14,770   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz'
2025-08-31T09:31:14,771   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz'
2025-08-31T09:31:14,772   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz'
2025-08-31T09:31:14,773   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz'
2025-08-31T09:31:14,775   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz'
2025-08-31T09:31:14,776   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz'
2025-08-31T09:31:14,777   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz'
2025-08-31T09:31:14,778   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz'
2025-08-31T09:31:14,780   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz'
2025-08-31T09:31:14,781   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz'
2025-08-31T09:31:14,782   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz'
2025-08-31T09:31:14,783   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz'
2025-08-31T09:31:14,784   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz'
2025-08-31T09:31:14,785   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz'
2025-08-31T09:31:14,786   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz'
2025-08-31T09:31:14,787   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz'
2025-08-31T09:31:14,788   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz'
2025-08-31T09:31:14,789   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz'
2025-08-31T09:31:14,790   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz'
2025-08-31T09:31:14,792   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz'
2025-08-31T09:31:14,793   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz'
2025-08-31T09:31:14,794   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz'
2025-08-31T09:31:14,795   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz'
2025-08-31T09:31:14,796   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz'
2025-08-31T09:31:14,797   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz'
2025-08-31T09:31:14,798   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz'
2025-08-31T09:31:14,799   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz'
2025-08-31T09:31:14,801   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz'
2025-08-31T09:31:14,802   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz'
2025-08-31T09:31:14,803   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz'
2025-08-31T09:31:14,804   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz'
2025-08-31T09:31:14,805   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz'
2025-08-31T09:31:14,806   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz'
2025-08-31T09:31:14,807   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz'
2025-08-31T09:31:14,809   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz'
2025-08-31T09:31:14,810   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz'
2025-08-31T09:31:14,811   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz'
2025-08-31T09:31:14,812   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz'
2025-08-31T09:31:14,813   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz'
2025-08-31T09:31:14,814   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz'
2025-08-31T09:31:14,816   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz'
2025-08-31T09:31:14,817   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz'
2025-08-31T09:31:14,818   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz'
2025-08-31T09:31:14,819   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz'
2025-08-31T09:31:14,820   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz'
2025-08-31T09:31:14,822   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz'
2025-08-31T09:31:14,823   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz'
2025-08-31T09:31:14,824   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz'
2025-08-31T09:31:14,825   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz'
2025-08-31T09:31:14,826   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz'
2025-08-31T09:31:14,827   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz'
2025-08-31T09:31:14,829   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz'
2025-08-31T09:31:14,830   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz'
2025-08-31T09:31:14,831   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz'
2025-08-31T09:31:14,832   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz'
2025-08-31T09:31:14,833   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz'
2025-08-31T09:31:14,834   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz'
2025-08-31T09:31:14,835   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz'
2025-08-31T09:31:14,836   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz'
2025-08-31T09:31:14,837   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz'
2025-08-31T09:31:14,838   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz'
2025-08-31T09:31:14,839   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz'
2025-08-31T09:31:14,841   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz'
2025-08-31T09:31:14,842   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz'
2025-08-31T09:31:14,843   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz'
2025-08-31T09:31:14,844   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz'
2025-08-31T09:31:14,845   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz'
2025-08-31T09:31:14,846   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz'
2025-08-31T09:31:14,847   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz'
2025-08-31T09:31:14,848   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz'
2025-08-31T09:31:14,850   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz'
2025-08-31T09:31:14,851   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz'
2025-08-31T09:31:14,852   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz'
2025-08-31T09:31:14,853   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz'
2025-08-31T09:31:14,854   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz'
2025-08-31T09:31:14,855   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz'
2025-08-31T09:31:14,856   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz'
2025-08-31T09:31:14,858   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz'
2025-08-31T09:31:14,859   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz'
2025-08-31T09:31:14,860   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz'
2025-08-31T09:31:14,861   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz'
2025-08-31T09:31:14,862   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz'
2025-08-31T09:31:14,863   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz'
2025-08-31T09:31:14,865   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz'
2025-08-31T09:31:14,866   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz'
2025-08-31T09:31:14,867   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz'
2025-08-31T09:31:14,868   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz'
2025-08-31T09:31:14,870   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz'
2025-08-31T09:31:14,871   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz'
2025-08-31T09:31:14,872   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz'
2025-08-31T09:31:14,873   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz'
2025-08-31T09:31:14,874   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz'
2025-08-31T09:31:14,876   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz'
2025-08-31T09:31:14,877   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz'
2025-08-31T09:31:14,878   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz'
2025-08-31T09:31:14,879   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz'
2025-08-31T09:31:14,881   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz'
2025-08-31T09:31:14,882   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz'
2025-08-31T09:31:14,883   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz'
2025-08-31T09:31:14,884   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz'
2025-08-31T09:31:14,885   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz'
2025-08-31T09:31:14,887   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz'
2025-08-31T09:31:14,888   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz'
2025-08-31T09:31:14,889   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz'
2025-08-31T09:31:14,891   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz'
2025-08-31T09:31:14,892   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz'
2025-08-31T09:31:14,893   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz'
2025-08-31T09:31:14,894   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz'
2025-08-31T09:31:14,895   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz'
2025-08-31T09:31:14,896   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz'
2025-08-31T09:31:14,897   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz'
2025-08-31T09:31:14,898   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz'
2025-08-31T09:31:14,900   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz'
2025-08-31T09:31:14,901   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz'
2025-08-31T09:31:14,902   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz'
2025-08-31T09:31:14,903   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz'
2025-08-31T09:31:14,904   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz'
2025-08-31T09:31:14,905   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz'
2025-08-31T09:31:14,906   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz'
2025-08-31T09:31:14,908   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz'
2025-08-31T09:31:14,909   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz'
2025-08-31T09:31:14,910   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz'
2025-08-31T09:31:14,911   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz'
2025-08-31T09:31:14,912   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz'
2025-08-31T09:31:14,913   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz'
2025-08-31T09:31:14,915   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz'
2025-08-31T09:31:14,916   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz'
2025-08-31T09:31:14,917   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz'
2025-08-31T09:31:14,918   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz'
2025-08-31T09:31:14,919   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz'
2025-08-31T09:31:14,920   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz'
2025-08-31T09:31:14,922   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz'
2025-08-31T09:31:14,923   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz'
2025-08-31T09:31:14,924   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz'
2025-08-31T09:31:14,925   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz'
2025-08-31T09:31:14,926   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz'
2025-08-31T09:31:14,927   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz'
2025-08-31T09:31:14,929   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz'
2025-08-31T09:31:14,930   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz'
2025-08-31T09:31:14,931   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz'
2025-08-31T09:31:14,932   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz'
2025-08-31T09:31:14,933   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz'
2025-08-31T09:31:14,934   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz'
2025-08-31T09:31:14,935   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz'
2025-08-31T09:31:14,936   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz'
2025-08-31T09:31:14,937   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz'
2025-08-31T09:31:14,939   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz'
2025-08-31T09:31:14,940   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz'
2025-08-31T09:31:14,941   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz'
2025-08-31T09:31:14,942   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz'
2025-08-31T09:31:14,943   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz'
2025-08-31T09:31:14,944   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz'
2025-08-31T09:31:14,945   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz'
2025-08-31T09:31:14,947   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz'
2025-08-31T09:31:14,948   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz'
2025-08-31T09:31:14,949   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz'
2025-08-31T09:31:14,950   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz'
2025-08-31T09:31:14,951   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz'
2025-08-31T09:31:14,952   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz'
2025-08-31T09:31:14,953   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz'
2025-08-31T09:31:14,955   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz'
2025-08-31T09:31:14,956   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz'
2025-08-31T09:31:14,957   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz'
2025-08-31T09:31:14,958   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz'
2025-08-31T09:31:14,959   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz'
2025-08-31T09:31:14,960   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz'
2025-08-31T09:31:14,961   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz'
2025-08-31T09:31:14,963   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz'
2025-08-31T09:31:14,964   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz'
2025-08-31T09:31:14,965   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz'
2025-08-31T09:31:14,966   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz'
2025-08-31T09:31:14,967   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz'
2025-08-31T09:31:14,968   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz'
2025-08-31T09:31:14,970   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz'
2025-08-31T09:31:14,971   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz'
2025-08-31T09:31:14,972   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz'
2025-08-31T09:31:14,973   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz'
2025-08-31T09:31:14,974   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz'
2025-08-31T09:31:14,975   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz'
2025-08-31T09:31:14,977   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz'
2025-08-31T09:31:14,978   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz'
2025-08-31T09:31:14,979   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz'
2025-08-31T09:31:14,980   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz'
2025-08-31T09:31:14,981   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz'
2025-08-31T09:31:14,984   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz'
2025-08-31T09:31:14,985   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz'
2025-08-31T09:31:14,986   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz'
2025-08-31T09:31:14,988   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz'
2025-08-31T09:31:14,989   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz'
2025-08-31T09:31:14,990   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz'
2025-08-31T09:31:14,991   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz'
2025-08-31T09:31:14,992   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz'
2025-08-31T09:31:14,993   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz'
2025-08-31T09:31:14,994   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz'
2025-08-31T09:31:14,995   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz'
2025-08-31T09:31:14,996   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz'
2025-08-31T09:31:14,997   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz'
2025-08-31T09:31:14,998   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz'
2025-08-31T09:31:15,000   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz'
2025-08-31T09:31:15,001   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz'
2025-08-31T09:31:15,002   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz'
2025-08-31T09:31:15,003   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz'
2025-08-31T09:31:15,004   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz'
2025-08-31T09:31:15,005   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz'
2025-08-31T09:31:15,006   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz'
2025-08-31T09:31:15,007   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz'
2025-08-31T09:31:15,009   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz'
2025-08-31T09:31:15,010   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz'
2025-08-31T09:31:15,011   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz'
2025-08-31T09:31:15,012   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz'
2025-08-31T09:31:15,013   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz'
2025-08-31T09:31:15,014   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz'
2025-08-31T09:31:15,016   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz'
2025-08-31T09:31:15,017   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz'
2025-08-31T09:31:15,018   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz'
2025-08-31T09:31:15,019   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz'
2025-08-31T09:31:15,020   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz'
2025-08-31T09:31:15,022   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz'
2025-08-31T09:31:15,023   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz'
2025-08-31T09:31:15,024   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz'
2025-08-31T09:31:15,025   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz'
2025-08-31T09:31:15,026   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz'
2025-08-31T09:31:15,028   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz'
2025-08-31T09:31:15,029   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz'
2025-08-31T09:31:15,030   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz'
2025-08-31T09:31:15,031   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz'
2025-08-31T09:31:15,032   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz'
2025-08-31T09:31:15,034   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz'
2025-08-31T09:31:15,035   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz'
2025-08-31T09:31:15,036   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz'
2025-08-31T09:31:15,037   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz'
2025-08-31T09:31:15,038   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz'
2025-08-31T09:31:15,039   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz'
2025-08-31T09:31:15,040   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz'
2025-08-31T09:31:15,042   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz'
2025-08-31T09:31:15,043   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz'
2025-08-31T09:31:15,044   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz'
2025-08-31T09:31:15,045   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz'
2025-08-31T09:31:15,046   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz'
2025-08-31T09:31:15,047   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz'
2025-08-31T09:31:15,049   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz'
2025-08-31T09:31:15,050   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz'
2025-08-31T09:31:15,051   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz'
2025-08-31T09:31:15,052   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz'
2025-08-31T09:31:15,053   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz'
2025-08-31T09:31:15,055   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz'
2025-08-31T09:31:15,056   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz'
2025-08-31T09:31:15,057   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz'
2025-08-31T09:31:15,058   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz'
2025-08-31T09:31:15,059   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz'
2025-08-31T09:31:15,060   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz'
2025-08-31T09:31:15,061   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz'
2025-08-31T09:31:15,063   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz'
2025-08-31T09:31:15,064   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz'
2025-08-31T09:31:15,065   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz'
2025-08-31T09:31:15,066   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz'
2025-08-31T09:31:15,067   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz'
2025-08-31T09:31:15,068   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz'
2025-08-31T09:31:15,070   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz'
2025-08-31T09:31:15,071   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz'
2025-08-31T09:31:15,072   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz'
2025-08-31T09:31:15,073   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz'
2025-08-31T09:31:15,074   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz'
2025-08-31T09:31:15,075   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz'
2025-08-31T09:31:15,077   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz'
2025-08-31T09:31:15,078   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz'
2025-08-31T09:31:15,079   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz'
2025-08-31T09:31:15,080   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz'
2025-08-31T09:31:15,081   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz'
2025-08-31T09:31:15,082   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz'
2025-08-31T09:31:15,084   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz'
2025-08-31T09:31:15,085   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz'
2025-08-31T09:31:15,087   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz'
2025-08-31T09:31:15,088   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz'
2025-08-31T09:31:15,089   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz'
2025-08-31T09:31:15,090   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz'
2025-08-31T09:31:15,091   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz'
2025-08-31T09:31:15,092   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz'
2025-08-31T09:31:15,093   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz'
2025-08-31T09:31:15,094   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz'
2025-08-31T09:31:15,095   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz'
2025-08-31T09:31:15,096   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz'
2025-08-31T09:31:15,097   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz'
2025-08-31T09:31:15,098   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz'
2025-08-31T09:31:15,100   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz'
2025-08-31T09:31:15,101   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz'
2025-08-31T09:31:15,102   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz'
2025-08-31T09:31:15,103   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz'
2025-08-31T09:31:15,104   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz'
2025-08-31T09:31:15,105   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz'
2025-08-31T09:31:15,106   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz'
2025-08-31T09:31:15,108   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz'
2025-08-31T09:31:15,109   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz'
2025-08-31T09:31:15,110   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz'
2025-08-31T09:31:15,111   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz'
2025-08-31T09:31:15,112   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz'
2025-08-31T09:31:15,114   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz'
2025-08-31T09:31:15,115   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz'
2025-08-31T09:31:15,116   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz'
2025-08-31T09:31:15,117   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz'
2025-08-31T09:31:15,118   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz'
2025-08-31T09:31:15,119   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz'
2025-08-31T09:31:15,120   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz'
2025-08-31T09:31:15,122   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz'
2025-08-31T09:31:15,123   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz'
2025-08-31T09:31:15,124   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz'
2025-08-31T09:31:15,125   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz'
2025-08-31T09:31:15,126   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz'
2025-08-31T09:31:15,127   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz'
2025-08-31T09:31:15,129   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz'
2025-08-31T09:31:15,130   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz'
2025-08-31T09:31:15,131   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz'
2025-08-31T09:31:15,132   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz'
2025-08-31T09:31:15,133   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz'
2025-08-31T09:31:15,135   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz'
2025-08-31T09:31:15,136   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz'
2025-08-31T09:31:15,137   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz'
2025-08-31T09:31:15,138   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz'
2025-08-31T09:31:15,139   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz'
2025-08-31T09:31:15,140   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz'
2025-08-31T09:31:15,142   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz'
2025-08-31T09:31:15,143   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz'
2025-08-31T09:31:15,144   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz'
2025-08-31T09:31:15,145   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz'
2025-08-31T09:31:15,146   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz'
2025-08-31T09:31:15,147   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz'
2025-08-31T09:31:15,148   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz'
2025-08-31T09:31:15,150   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz'
2025-08-31T09:31:15,151   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz'
2025-08-31T09:31:15,152   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz'
2025-08-31T09:31:15,153   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz'
2025-08-31T09:31:15,154   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz'
2025-08-31T09:31:15,156   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz'
2025-08-31T09:31:15,157   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz'
2025-08-31T09:31:15,158   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz'
2025-08-31T09:31:15,159   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz'
2025-08-31T09:31:15,160   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz'
2025-08-31T09:31:15,162   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz'
2025-08-31T09:31:15,163   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz'
2025-08-31T09:31:15,164   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz'
2025-08-31T09:31:15,165   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz'
2025-08-31T09:31:15,166   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz'
2025-08-31T09:31:15,167   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz'
2025-08-31T09:31:15,169   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz'
2025-08-31T09:31:15,170   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz'
2025-08-31T09:31:15,171   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz'
2025-08-31T09:31:15,172   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz'
2025-08-31T09:31:15,173   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz'
2025-08-31T09:31:15,174   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz'
2025-08-31T09:31:15,176   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz'
2025-08-31T09:31:15,177   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz'
2025-08-31T09:31:15,178   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz'
2025-08-31T09:31:15,179   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz'
2025-08-31T09:31:15,180   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz'
2025-08-31T09:31:15,182   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz'
2025-08-31T09:31:15,183   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz'
2025-08-31T09:31:15,184   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz'
2025-08-31T09:31:15,185   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz'
2025-08-31T09:31:15,186   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz'
2025-08-31T09:31:15,187   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz'
2025-08-31T09:31:15,189   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz'
2025-08-31T09:31:15,190   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz'
2025-08-31T09:31:15,191   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz'
2025-08-31T09:31:15,192   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz'
2025-08-31T09:31:15,193   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz'
2025-08-31T09:31:15,194   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz'
2025-08-31T09:31:15,195   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz'
2025-08-31T09:31:15,196   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz'
2025-08-31T09:31:15,197   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz'
2025-08-31T09:31:15,198   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz'
2025-08-31T09:31:15,200   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz'
2025-08-31T09:31:15,201   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz'
2025-08-31T09:31:15,202   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz'
2025-08-31T09:31:15,203   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz'
2025-08-31T09:31:15,204   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz'
2025-08-31T09:31:15,205   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz'
2025-08-31T09:31:15,206   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz'
2025-08-31T09:31:15,207   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz'
2025-08-31T09:31:15,209   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz'
2025-08-31T09:31:15,210   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz'
2025-08-31T09:31:15,211   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz'
2025-08-31T09:31:15,212   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz'
2025-08-31T09:31:15,213   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz'
2025-08-31T09:31:15,214   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz'
2025-08-31T09:31:15,215   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz'
2025-08-31T09:31:15,217   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz'
2025-08-31T09:31:15,218   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz'
2025-08-31T09:31:15,219   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz'
2025-08-31T09:31:15,220   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz'
2025-08-31T09:31:15,221   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz'
2025-08-31T09:31:15,222   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz'
2025-08-31T09:31:15,223   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz'
2025-08-31T09:31:15,225   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz'
2025-08-31T09:31:15,226   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz'
2025-08-31T09:31:15,227   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz'
2025-08-31T09:31:15,228   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz'
2025-08-31T09:31:15,229   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz'
2025-08-31T09:31:15,230   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz'
2025-08-31T09:31:15,232   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz'
2025-08-31T09:31:15,233   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz'
2025-08-31T09:31:15,234   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz'
2025-08-31T09:31:15,235   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz'
2025-08-31T09:31:15,237   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz'
2025-08-31T09:31:15,238   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz'
2025-08-31T09:31:15,240   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz'
2025-08-31T09:31:15,242   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz'
2025-08-31T09:31:15,244   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz'
2025-08-31T09:31:15,245   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz'
2025-08-31T09:31:15,247   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz'
2025-08-31T09:31:15,249   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz'
2025-08-31T09:31:15,250   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz'
2025-08-31T09:31:15,252   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz'
2025-08-31T09:31:15,254   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz'
2025-08-31T09:31:15,256   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz'
2025-08-31T09:31:15,258   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz'
2025-08-31T09:31:15,261   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz'
2025-08-31T09:31:15,263   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz'
2025-08-31T09:31:15,265   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz'
2025-08-31T09:31:15,266   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz'
2025-08-31T09:31:15,268   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz'
2025-08-31T09:31:15,270   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz'
2025-08-31T09:31:15,272   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz'
2025-08-31T09:31:15,273   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz'
2025-08-31T09:31:15,275   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz'
2025-08-31T09:31:15,276   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz'
2025-08-31T09:31:15,278   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz'
2025-08-31T09:31:15,279   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz'
2025-08-31T09:31:15,281   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz'
2025-08-31T09:31:15,282   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz'
2025-08-31T09:31:15,283   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz'
2025-08-31T09:31:15,284   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz'
2025-08-31T09:31:15,286   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz'
2025-08-31T09:31:15,287   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz'
2025-08-31T09:31:15,288   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz'
2025-08-31T09:31:15,290   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz'
2025-08-31T09:31:15,291   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz'
2025-08-31T09:31:15,293   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz'
2025-08-31T09:31:15,294   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz'
2025-08-31T09:31:15,295   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz'
2025-08-31T09:31:15,297   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz'
2025-08-31T09:31:15,298   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz'
2025-08-31T09:31:15,299   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz'
2025-08-31T09:31:15,300   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz'
2025-08-31T09:31:15,301   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz'
2025-08-31T09:31:15,303   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz'
2025-08-31T09:31:15,304   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz'
2025-08-31T09:31:15,305   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz'
2025-08-31T09:31:15,306   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz'
2025-08-31T09:31:15,308   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz'
2025-08-31T09:31:15,309   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz'
2025-08-31T09:31:15,310   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz'
2025-08-31T09:31:15,311   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz'
2025-08-31T09:31:15,312   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz'
2025-08-31T09:31:15,313   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz'
2025-08-31T09:31:15,314   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz'
2025-08-31T09:31:15,316   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz'
2025-08-31T09:31:15,317   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz'
2025-08-31T09:31:15,318   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz'
2025-08-31T09:31:15,319   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz'
2025-08-31T09:31:15,320   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz'
2025-08-31T09:31:15,322   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz'
2025-08-31T09:31:15,323   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz'
2025-08-31T09:31:15,324   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz'
2025-08-31T09:31:15,325   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz'
2025-08-31T09:31:15,326   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz'
2025-08-31T09:31:15,329   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz'
2025-08-31T09:31:15,330   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz'
2025-08-31T09:31:15,332   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz'
2025-08-31T09:31:15,333   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz'
2025-08-31T09:31:15,334   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz'
2025-08-31T09:31:15,335   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz'
2025-08-31T09:31:15,337   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz'
2025-08-31T09:31:15,338   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz'
2025-08-31T09:31:15,339   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz'
2025-08-31T09:31:15,341   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz'
2025-08-31T09:31:15,342   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz'
2025-08-31T09:31:15,343   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz'
2025-08-31T09:31:15,344   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz'
2025-08-31T09:31:15,345   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz'
2025-08-31T09:31:15,347   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz'
2025-08-31T09:31:15,348   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz'
2025-08-31T09:31:15,349   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz'
2025-08-31T09:31:15,351   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz'
2025-08-31T09:31:15,352   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz'
2025-08-31T09:31:15,353   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz'
2025-08-31T09:31:15,354   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz'
2025-08-31T09:31:15,356   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz'
2025-08-31T09:31:15,357   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz'
2025-08-31T09:31:15,358   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz'
2025-08-31T09:31:15,360   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz'
2025-08-31T09:31:15,361   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz'
2025-08-31T09:31:15,362   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz'
2025-08-31T09:31:15,364   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz'
2025-08-31T09:31:15,365   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz'
2025-08-31T09:31:15,366   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz'
2025-08-31T09:31:15,367   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz'
2025-08-31T09:31:15,369   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz'
2025-08-31T09:31:15,370   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz'
2025-08-31T09:31:15,371   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz'
2025-08-31T09:31:15,372   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz'
2025-08-31T09:31:15,374   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz'
2025-08-31T09:31:15,375   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz'
2025-08-31T09:31:15,376   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz'
2025-08-31T09:31:15,378   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz'
2025-08-31T09:31:15,379   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz'
2025-08-31T09:31:15,380   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz'
2025-08-31T09:31:15,381   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz'
2025-08-31T09:31:15,383   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz'
2025-08-31T09:31:15,384   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz'
2025-08-31T09:31:15,385   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz'
2025-08-31T09:31:15,386   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz'
2025-08-31T09:31:15,387   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz'
2025-08-31T09:31:15,388   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz'
2025-08-31T09:31:15,390   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz'
2025-08-31T09:31:15,391   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz'
2025-08-31T09:31:15,393   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz'
2025-08-31T09:31:15,394   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz'
2025-08-31T09:31:15,395   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz'
2025-08-31T09:31:15,396   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz'
2025-08-31T09:31:15,398   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz'
2025-08-31T09:31:15,399   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz'
2025-08-31T09:31:15,400   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz'
2025-08-31T09:31:15,401   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz'
2025-08-31T09:31:15,403   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz'
2025-08-31T09:31:15,404   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz'
2025-08-31T09:31:15,405   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz'
2025-08-31T09:31:15,407   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz'
2025-08-31T09:31:15,408   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz'
2025-08-31T09:31:15,409   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz'
2025-08-31T09:31:15,411   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz'
2025-08-31T09:31:15,412   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz'
2025-08-31T09:31:15,446   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz'
2025-08-31T09:31:15,447   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz'
2025-08-31T09:31:15,449   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz'
2025-08-31T09:31:15,451   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz'
2025-08-31T09:31:15,453   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz'
2025-08-31T09:31:15,455   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz'
2025-08-31T09:31:15,457   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz'
2025-08-31T09:31:15,459   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz'
2025-08-31T09:31:15,461   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz'
2025-08-31T09:31:15,462   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz'
2025-08-31T09:31:15,464   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz'
2025-08-31T09:31:15,466   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz'
2025-08-31T09:31:15,467   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz'
2025-08-31T09:31:15,469   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz'
2025-08-31T09:31:15,471   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz'
2025-08-31T09:31:15,473   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz'
2025-08-31T09:31:15,474   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz'
2025-08-31T09:31:15,476   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz'
2025-08-31T09:31:15,478   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz'
2025-08-31T09:31:15,480   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz'
2025-08-31T09:31:15,481   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz'
2025-08-31T09:31:15,483   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz'
2025-08-31T09:31:15,485   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz'
2025-08-31T09:31:15,486   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz'
2025-08-31T09:31:15,488   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz'
2025-08-31T09:31:15,489   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz'
2025-08-31T09:31:15,491   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz'
2025-08-31T09:31:15,493   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz'
2025-08-31T09:31:15,494   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz'
2025-08-31T09:31:15,496   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz'
2025-08-31T09:31:15,497   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz'
2025-08-31T09:31:15,499   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz'
2025-08-31T09:31:15,501   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz'
2025-08-31T09:31:15,502   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz'
2025-08-31T09:31:15,504   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz'
2025-08-31T09:31:15,505   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz'
2025-08-31T09:31:15,507   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz'
2025-08-31T09:31:15,509   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz'
2025-08-31T09:31:15,510   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz'
2025-08-31T09:31:15,512   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz'
2025-08-31T09:31:15,513   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz'
2025-08-31T09:31:15,515   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz'
2025-08-31T09:31:15,516   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz'
2025-08-31T09:31:15,518   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz'
2025-08-31T09:31:15,520   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz'
2025-08-31T09:31:15,521   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz'
2025-08-31T09:31:15,523   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz'
2025-08-31T09:31:15,524   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz'
2025-08-31T09:31:15,526   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz'
2025-08-31T09:31:15,528   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz'
2025-08-31T09:31:15,529   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz'
2025-08-31T09:31:15,531   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz'
2025-08-31T09:31:15,533   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz'
2025-08-31T09:31:15,535   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz'
2025-08-31T09:31:15,536   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz'
2025-08-31T09:31:15,538   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz'
2025-08-31T09:31:15,540   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz'
2025-08-31T09:31:15,541   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz'
2025-08-31T09:31:15,543   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz'
2025-08-31T09:31:15,545   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz'
2025-08-31T09:31:15,546   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz'
2025-08-31T09:31:15,548   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz'
2025-08-31T09:31:15,550   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz'
2025-08-31T09:31:15,551   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz'
2025-08-31T09:31:15,553   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz'
2025-08-31T09:31:15,555   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz'
2025-08-31T09:31:15,556   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz'
2025-08-31T09:31:15,558   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz'
2025-08-31T09:31:15,560   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz'
2025-08-31T09:31:15,561   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz'
2025-08-31T09:31:15,563   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz'
2025-08-31T09:31:15,565   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz'
2025-08-31T09:31:15,566   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz'
2025-08-31T09:31:15,568   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz'
2025-08-31T09:31:15,569   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz'
2025-08-31T09:31:15,571   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz'
2025-08-31T09:31:15,573   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz'
2025-08-31T09:31:15,574   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz'
2025-08-31T09:31:15,576   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz'
2025-08-31T09:31:15,577   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz'
2025-08-31T09:31:15,579   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz'
2025-08-31T09:31:15,580   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz'
2025-08-31T09:31:15,582   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz'
2025-08-31T09:31:15,584   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz'
2025-08-31T09:31:15,585   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz'
2025-08-31T09:31:15,587   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz'
2025-08-31T09:31:15,588   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz'
2025-08-31T09:31:15,590   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz'
2025-08-31T09:31:15,591   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz'
2025-08-31T09:31:15,593   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz'
2025-08-31T09:31:15,595   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz'
2025-08-31T09:31:15,596   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz'
2025-08-31T09:31:15,598   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz'
2025-08-31T09:31:15,600   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz'
2025-08-31T09:31:15,601   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz'
2025-08-31T09:31:15,603   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz'
2025-08-31T09:31:15,605   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz'
2025-08-31T09:31:15,606   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz'
2025-08-31T09:31:15,608   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz'
2025-08-31T09:31:15,610   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz'
2025-08-31T09:31:15,611   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz'
2025-08-31T09:31:15,613   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz'
2025-08-31T09:31:15,615   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz'
2025-08-31T09:31:15,616   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz'
2025-08-31T09:31:15,618   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz'
2025-08-31T09:31:15,620   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz'
2025-08-31T09:31:15,621   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz'
2025-08-31T09:31:15,623   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz'
2025-08-31T09:31:15,625   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz'
2025-08-31T09:31:15,626   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz'
2025-08-31T09:31:15,628   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz'
2025-08-31T09:31:15,630   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz'
2025-08-31T09:31:15,631   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz'
2025-08-31T09:31:15,633   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz'
2025-08-31T09:31:15,635   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz'
2025-08-31T09:31:15,636   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz'
2025-08-31T09:31:15,638   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz'
2025-08-31T09:31:15,640   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz'
2025-08-31T09:31:15,641   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz'
2025-08-31T09:31:15,643   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz'
2025-08-31T09:31:15,644   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz'
2025-08-31T09:31:15,646   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz'
2025-08-31T09:31:15,648   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz'
2025-08-31T09:31:15,649   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz'
2025-08-31T09:31:15,651   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz'
2025-08-31T09:31:15,653   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz'
2025-08-31T09:31:15,654   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz'
2025-08-31T09:31:15,656   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz'
2025-08-31T09:31:15,658   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz'
2025-08-31T09:31:15,659   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz'
2025-08-31T09:31:15,660   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz'
2025-08-31T09:31:15,662   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz'
2025-08-31T09:31:15,663   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz'
2025-08-31T09:31:15,664   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz'
2025-08-31T09:31:15,665   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz'
2025-08-31T09:31:15,667   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz'
2025-08-31T09:31:15,668   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz'
2025-08-31T09:31:15,669   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz'
2025-08-31T09:31:15,670   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz'
2025-08-31T09:31:15,672   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz'
2025-08-31T09:31:15,673   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz'
2025-08-31T09:31:15,674   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz'
2025-08-31T09:31:15,676   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz'
2025-08-31T09:31:15,677   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz'
2025-08-31T09:31:15,678   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz'
2025-08-31T09:31:15,679   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz'
2025-08-31T09:31:15,681   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz'
2025-08-31T09:31:15,682   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz'
2025-08-31T09:31:15,683   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz'
2025-08-31T09:31:15,684   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz'
2025-08-31T09:31:15,686   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz'
2025-08-31T09:31:15,687   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz'
2025-08-31T09:31:15,688   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz'
2025-08-31T09:31:15,689   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz'
2025-08-31T09:31:15,691   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz'
2025-08-31T09:31:15,692   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz'
2025-08-31T09:31:15,693   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz'
2025-08-31T09:31:15,694   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz'
2025-08-31T09:31:15,696   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz'
2025-08-31T09:31:15,697   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz'
2025-08-31T09:31:15,698   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz'
2025-08-31T09:31:15,700   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz'
2025-08-31T09:31:15,701   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz'
2025-08-31T09:31:15,702   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz'
2025-08-31T09:31:15,703   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz'
2025-08-31T09:31:15,705   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz'
2025-08-31T09:31:15,706   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz'
2025-08-31T09:31:15,707   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz'
2025-08-31T09:31:15,708   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz'
2025-08-31T09:31:15,710   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz'
2025-08-31T09:31:15,711   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz'
2025-08-31T09:31:15,712   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz'
2025-08-31T09:31:15,713   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz'
2025-08-31T09:31:15,715   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz'
2025-08-31T09:31:15,716   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz'
2025-08-31T09:31:15,717   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz'
2025-08-31T09:31:15,718   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz'
2025-08-31T09:31:15,720   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz'
2025-08-31T09:31:15,721   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz'
2025-08-31T09:31:15,722   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz'
2025-08-31T09:31:15,724   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz'
2025-08-31T09:31:15,725   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz'
2025-08-31T09:31:15,726   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz'
2025-08-31T09:31:15,728   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz'
2025-08-31T09:31:15,729   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz'
2025-08-31T09:31:15,730   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz'
2025-08-31T09:31:15,731   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz'
2025-08-31T09:31:15,732   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz'
2025-08-31T09:31:15,734   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz'
2025-08-31T09:31:15,735   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz'
2025-08-31T09:31:15,736   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz'
2025-08-31T09:31:15,737   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz'
2025-08-31T09:31:15,738   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz'
2025-08-31T09:31:15,739   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz'
2025-08-31T09:31:15,741   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz'
2025-08-31T09:31:15,742   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz'
2025-08-31T09:31:15,743   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz'
2025-08-31T09:31:15,744   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz'
2025-08-31T09:31:15,746   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz'
2025-08-31T09:31:15,747   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz'
2025-08-31T09:31:15,748   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz'
2025-08-31T09:31:15,749   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz'
2025-08-31T09:31:15,751   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz'
2025-08-31T09:31:15,752   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz'
2025-08-31T09:31:15,753   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz'
2025-08-31T09:31:15,754   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz'
2025-08-31T09:31:15,756   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz'
2025-08-31T09:31:15,757   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz'
2025-08-31T09:31:15,758   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz'
2025-08-31T09:31:15,760   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz'
2025-08-31T09:31:15,761   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz'
2025-08-31T09:31:15,762   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz'
2025-08-31T09:31:15,764   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz'
2025-08-31T09:31:15,765   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz'
2025-08-31T09:31:15,766   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz'
2025-08-31T09:31:15,767   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz'
2025-08-31T09:31:15,769   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz'
2025-08-31T09:31:15,770   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz'
2025-08-31T09:31:15,771   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz'
2025-08-31T09:31:15,773   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz'
2025-08-31T09:31:15,774   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz'
2025-08-31T09:31:15,775   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz'
2025-08-31T09:31:15,777   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz'
2025-08-31T09:31:15,778   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz'
2025-08-31T09:31:15,779   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz'
2025-08-31T09:31:15,780   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz'
2025-08-31T09:31:15,781   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz'
2025-08-31T09:31:15,783   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz'
2025-08-31T09:31:15,784   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz'
2025-08-31T09:31:15,785   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz'
2025-08-31T09:31:15,786   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz'
2025-08-31T09:31:15,787   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz'
2025-08-31T09:31:15,789   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz'
2025-08-31T09:31:15,790   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz'
2025-08-31T09:31:15,791   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz'
2025-08-31T09:31:15,792   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz'
2025-08-31T09:31:15,794   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz'
2025-08-31T09:31:15,796   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz'
2025-08-31T09:31:15,797   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz'
2025-08-31T09:31:15,798   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz'
2025-08-31T09:31:15,800   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz'
2025-08-31T09:31:15,801   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz'
2025-08-31T09:31:15,802   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz'
2025-08-31T09:31:15,803   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz'
2025-08-31T09:31:15,805   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz'
2025-08-31T09:31:15,806   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz'
2025-08-31T09:31:15,807   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz'
2025-08-31T09:31:15,809   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz'
2025-08-31T09:31:15,810   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz'
2025-08-31T09:31:15,811   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz'
2025-08-31T09:31:15,813   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz'
2025-08-31T09:31:15,814   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz'
2025-08-31T09:31:15,815   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz'
2025-08-31T09:31:15,816   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz'
2025-08-31T09:31:15,818   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz'
2025-08-31T09:31:15,819   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz'
2025-08-31T09:31:15,820   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz'
2025-08-31T09:31:15,822   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz'
2025-08-31T09:31:15,823   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz'
2025-08-31T09:31:15,824   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz'
2025-08-31T09:31:15,825   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz'
2025-08-31T09:31:15,827   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz'
2025-08-31T09:31:15,828   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz'
2025-08-31T09:31:15,829   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz'
2025-08-31T09:31:15,830   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz'
2025-08-31T09:31:15,831   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz'
2025-08-31T09:31:15,832   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz'
2025-08-31T09:31:15,834   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz'
2025-08-31T09:31:15,835   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz'
2025-08-31T09:31:15,836   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz'
2025-08-31T09:31:15,838   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz'
2025-08-31T09:31:15,839   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz'
2025-08-31T09:31:15,840   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz'
2025-08-31T09:31:15,842   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz'
2025-08-31T09:31:15,843   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz'
2025-08-31T09:31:15,844   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz'
2025-08-31T09:31:15,845   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz'
2025-08-31T09:31:15,847   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz'
2025-08-31T09:31:15,848   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz'
2025-08-31T09:31:15,849   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz'
2025-08-31T09:31:15,851   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz'
2025-08-31T09:31:15,852   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz'
2025-08-31T09:31:15,853   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz'
2025-08-31T09:31:15,855   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz'
2025-08-31T09:31:15,856   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz'
2025-08-31T09:31:15,857   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz'
2025-08-31T09:31:15,859   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz'
2025-08-31T09:31:15,860   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz'
2025-08-31T09:31:15,861   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz'
2025-08-31T09:31:15,862   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz'
2025-08-31T09:31:15,864   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz'
2025-08-31T09:31:15,865   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz'
2025-08-31T09:31:15,866   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz'
2025-08-31T09:31:15,867   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz'
2025-08-31T09:31:15,869   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz'
2025-08-31T09:31:15,870   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz'
2025-08-31T09:31:15,871   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz'
2025-08-31T09:31:15,872   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz'
2025-08-31T09:31:15,873   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz'
2025-08-31T09:31:15,874   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz'
2025-08-31T09:31:15,875   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz'
2025-08-31T09:31:15,877   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz'
2025-08-31T09:31:15,878   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz'
2025-08-31T09:31:15,879   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz'
2025-08-31T09:31:15,880   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz'
2025-08-31T09:31:15,882   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz'
2025-08-31T09:31:15,883   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz'
2025-08-31T09:31:15,884   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz'
2025-08-31T09:31:15,885   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz'
2025-08-31T09:31:15,886   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz'
2025-08-31T09:31:15,888   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz'
2025-08-31T09:31:15,889   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz'
2025-08-31T09:31:15,890   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz'
2025-08-31T09:31:15,892   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz'
2025-08-31T09:31:15,893   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz'
2025-08-31T09:31:15,894   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz'
2025-08-31T09:31:15,895   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz'
2025-08-31T09:31:15,896   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz'
2025-08-31T09:31:15,898   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz'
2025-08-31T09:31:15,899   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz'
2025-08-31T09:31:15,900   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz'
2025-08-31T09:31:15,901   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz'
2025-08-31T09:31:15,903   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz'
2025-08-31T09:31:15,904   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz'
2025-08-31T09:31:15,905   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz'
2025-08-31T09:31:15,906   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz'
2025-08-31T09:31:15,908   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz'
2025-08-31T09:31:15,909   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz'
2025-08-31T09:31:15,910   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz'
2025-08-31T09:31:15,911   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz'
2025-08-31T09:31:15,913   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz'
2025-08-31T09:31:15,914   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz'
2025-08-31T09:31:15,915   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz'
2025-08-31T09:31:15,916   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz'
2025-08-31T09:31:15,917   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz'
2025-08-31T09:31:15,919   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz'
2025-08-31T09:31:15,920   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz'
2025-08-31T09:31:15,921   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz'
2025-08-31T09:31:15,923   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz'
2025-08-31T09:31:15,924   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz'
2025-08-31T09:31:15,925   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz'
2025-08-31T09:31:15,927   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz'
2025-08-31T09:31:15,928   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz'
2025-08-31T09:31:15,930   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz'
2025-08-31T09:31:15,931   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz'
2025-08-31T09:31:15,932   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz'
2025-08-31T09:31:15,934   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz'
2025-08-31T09:31:15,935   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz'
2025-08-31T09:31:15,936   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz'
2025-08-31T09:31:15,938   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz'
2025-08-31T09:31:15,939   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz'
2025-08-31T09:31:15,940   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz'
2025-08-31T09:31:15,942   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz'
2025-08-31T09:31:15,943   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz'
2025-08-31T09:31:15,944   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz'
2025-08-31T09:31:15,946   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz'
2025-08-31T09:31:15,947   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz'
2025-08-31T09:31:15,948   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz'
2025-08-31T09:31:15,950   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz'
2025-08-31T09:31:15,951   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz'
2025-08-31T09:31:15,952   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz'
2025-08-31T09:31:15,954   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz'
2025-08-31T09:31:15,955   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz'
2025-08-31T09:31:15,956   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz'
2025-08-31T09:31:15,958   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz'
2025-08-31T09:31:15,959   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz'
2025-08-31T09:31:15,961   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz'
2025-08-31T09:31:15,962   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz'
2025-08-31T09:31:15,963   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz'
2025-08-31T09:31:15,964   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz'
2025-08-31T09:31:15,965   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz'
2025-08-31T09:31:15,967   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz'
2025-08-31T09:31:15,968   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz'
2025-08-31T09:31:15,969   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz'
2025-08-31T09:31:15,970   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz'
2025-08-31T09:31:15,972   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz'
2025-08-31T09:31:15,973   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz'
2025-08-31T09:31:15,974   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz'
2025-08-31T09:31:15,976   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz'
2025-08-31T09:31:15,977   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz'
2025-08-31T09:31:15,978   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz'
2025-08-31T09:31:15,980   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz'
2025-08-31T09:31:15,981   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz'
2025-08-31T09:31:15,982   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz'
2025-08-31T09:31:15,983   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz'
2025-08-31T09:31:15,985   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz'
2025-08-31T09:31:15,986   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz'
2025-08-31T09:31:15,987   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz'
2025-08-31T09:31:15,988   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz'
2025-08-31T09:31:15,990   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz'
2025-08-31T09:31:15,991   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz'
2025-08-31T09:31:15,992   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz'
2025-08-31T09:31:15,994   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz'
2025-08-31T09:31:15,995   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz'
2025-08-31T09:31:15,996   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz'
2025-08-31T09:31:15,997   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz'
2025-08-31T09:31:15,999   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz'
2025-08-31T09:31:16,000   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz'
2025-08-31T09:31:16,001   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz'
2025-08-31T09:31:16,003   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz'
2025-08-31T09:31:16,004   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz'
2025-08-31T09:31:16,005   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz'
2025-08-31T09:31:16,007   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz'
2025-08-31T09:31:16,008   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz'
2025-08-31T09:31:16,009   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz'
2025-08-31T09:31:16,010   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz'
2025-08-31T09:31:16,011   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz'
2025-08-31T09:31:16,012   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz'
2025-08-31T09:31:16,014   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz'
2025-08-31T09:31:16,015   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz'
2025-08-31T09:31:16,016   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz'
2025-08-31T09:31:16,018   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz'
2025-08-31T09:31:16,019   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz'
2025-08-31T09:31:16,020   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz'
2025-08-31T09:31:16,021   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz'
2025-08-31T09:31:16,023   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz'
2025-08-31T09:31:16,024   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz'
2025-08-31T09:31:16,025   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz'
2025-08-31T09:31:16,027   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz'
2025-08-31T09:31:16,028   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz'
2025-08-31T09:31:16,029   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz'
2025-08-31T09:31:16,031   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz'
2025-08-31T09:31:16,032   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz'
2025-08-31T09:31:16,033   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz'
2025-08-31T09:31:16,034   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz'
2025-08-31T09:31:16,036   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz'
2025-08-31T09:31:16,037   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz'
2025-08-31T09:31:16,038   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz'
2025-08-31T09:31:16,040   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz'
2025-08-31T09:31:16,041   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz'
2025-08-31T09:31:16,042   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz'
2025-08-31T09:31:16,044   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz'
2025-08-31T09:31:16,045   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz'
2025-08-31T09:31:16,046   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz'
2025-08-31T09:31:16,047   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz'
2025-08-31T09:31:16,049   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz'
2025-08-31T09:31:16,050   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz'
2025-08-31T09:31:16,051   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz'
2025-08-31T09:31:16,052   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz'
2025-08-31T09:31:16,053   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz'
2025-08-31T09:31:16,055   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz'
2025-08-31T09:31:16,056   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz'
2025-08-31T09:31:16,057   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz'
2025-08-31T09:31:16,058   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz'
2025-08-31T09:31:16,059   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz'
2025-08-31T09:31:16,060   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz'
2025-08-31T09:31:16,062   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz'
2025-08-31T09:31:16,063   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz'
2025-08-31T09:31:16,064   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz'
2025-08-31T09:31:16,065   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz'
2025-08-31T09:31:16,067   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz'
2025-08-31T09:31:16,068   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz'
2025-08-31T09:31:16,069   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz'
2025-08-31T09:31:16,071   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz'
2025-08-31T09:31:16,072   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz'
2025-08-31T09:31:16,073   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz'
2025-08-31T09:31:16,075   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz'
2025-08-31T09:31:16,076   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz'
2025-08-31T09:31:16,078   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz'
2025-08-31T09:31:16,079   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz'
2025-08-31T09:31:16,081   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz'
2025-08-31T09:31:16,082   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz'
2025-08-31T09:31:16,083   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz'
2025-08-31T09:31:16,085   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz'
2025-08-31T09:31:16,086   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz'
2025-08-31T09:31:16,087   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz'
2025-08-31T09:31:16,089   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz'
2025-08-31T09:31:16,090   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz'
2025-08-31T09:31:16,092   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz'
2025-08-31T09:31:16,093   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz'
2025-08-31T09:31:16,094   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz'
2025-08-31T09:31:16,096   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz'
2025-08-31T09:31:16,097   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz'
2025-08-31T09:31:16,098   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz'
2025-08-31T09:31:16,100   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz'
2025-08-31T09:31:16,101   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz'
2025-08-31T09:31:16,102   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz'
2025-08-31T09:31:16,103   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz'
2025-08-31T09:31:16,104   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz'
2025-08-31T09:31:16,106   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz'
2025-08-31T09:31:16,107   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz'
2025-08-31T09:31:16,108   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz'
2025-08-31T09:31:16,110   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz'
2025-08-31T09:31:16,111   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz'
2025-08-31T09:31:16,112   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz'
2025-08-31T09:31:16,113   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz'
2025-08-31T09:31:16,115   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz'
2025-08-31T09:31:16,116   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz'
2025-08-31T09:31:16,117   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz'
2025-08-31T09:31:16,118   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz'
2025-08-31T09:31:16,120   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz'
2025-08-31T09:31:16,121   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz'
2025-08-31T09:31:16,122   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz'
2025-08-31T09:31:16,123   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz'
2025-08-31T09:31:16,125   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz'
2025-08-31T09:31:16,126   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz'
2025-08-31T09:31:16,128   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz'
2025-08-31T09:31:16,130   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz'
2025-08-31T09:31:16,131   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz'
2025-08-31T09:31:16,133   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz'
2025-08-31T09:31:16,134   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz'
2025-08-31T09:31:16,135   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz'
2025-08-31T09:31:16,136   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz'
2025-08-31T09:31:16,138   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz'
2025-08-31T09:31:16,139   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz'
2025-08-31T09:31:16,141   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz'
2025-08-31T09:31:16,142   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz'
2025-08-31T09:31:16,143   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz'
2025-08-31T09:31:16,145   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz'
2025-08-31T09:31:16,146   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz'
2025-08-31T09:31:16,147   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz'
2025-08-31T09:31:16,149   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz'
2025-08-31T09:31:16,150   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz'
2025-08-31T09:31:16,152   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz'
2025-08-31T09:31:16,153   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz'
2025-08-31T09:31:16,154   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz'
2025-08-31T09:31:16,156   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz'
2025-08-31T09:31:16,157   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz'
2025-08-31T09:31:16,159   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz'
2025-08-31T09:31:16,160   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz'
2025-08-31T09:31:16,161   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz'
2025-08-31T09:31:16,163   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz'
2025-08-31T09:31:16,164   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz'
2025-08-31T09:31:16,166   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz'
2025-08-31T09:31:16,167   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz'
2025-08-31T09:31:16,168   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz'
2025-08-31T09:31:16,170   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz'
2025-08-31T09:31:16,171   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz'
2025-08-31T09:31:16,173   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz'
2025-08-31T09:31:16,174   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz'
2025-08-31T09:31:16,175   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz'
2025-08-31T09:31:16,177   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz'
2025-08-31T09:31:16,178   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz'
2025-08-31T09:31:16,180   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz'
2025-08-31T09:31:16,181   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz'
2025-08-31T09:31:16,182   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz'
2025-08-31T09:31:16,184   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz'
2025-08-31T09:31:16,185   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz'
2025-08-31T09:31:16,186   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz'
2025-08-31T09:31:16,187   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz'
2025-08-31T09:31:16,189   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz'
2025-08-31T09:31:16,191   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz'
2025-08-31T09:31:16,192   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz'
2025-08-31T09:31:16,193   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz'
2025-08-31T09:31:16,195   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz'
2025-08-31T09:31:16,196   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz'
2025-08-31T09:31:16,197   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz'
2025-08-31T09:31:16,199   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz'
2025-08-31T09:31:16,200   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz'
2025-08-31T09:31:16,201   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz'
2025-08-31T09:31:16,202   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz'
2025-08-31T09:31:16,204   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz'
2025-08-31T09:31:16,205   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz'
2025-08-31T09:31:16,206   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz'
2025-08-31T09:31:16,208   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz'
2025-08-31T09:31:16,209   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz'
2025-08-31T09:31:16,210   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz'
2025-08-31T09:31:16,212   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz'
2025-08-31T09:31:16,213   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz'
2025-08-31T09:31:16,215   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz'
2025-08-31T09:31:16,216   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz'
2025-08-31T09:31:16,217   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz'
2025-08-31T09:31:16,219   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz'
2025-08-31T09:31:16,220   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz'
2025-08-31T09:31:16,221   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz'
2025-08-31T09:31:16,223   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz'
2025-08-31T09:31:16,224   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz'
2025-08-31T09:31:16,225   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz'
2025-08-31T09:31:16,227   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz'
2025-08-31T09:31:16,229   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz'
2025-08-31T09:31:16,230   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz'
2025-08-31T09:31:16,231   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz'
2025-08-31T09:31:16,233   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz'
2025-08-31T09:31:16,234   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz'
2025-08-31T09:31:16,236   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz'
2025-08-31T09:31:16,237   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz'
2025-08-31T09:31:16,239   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz'
2025-08-31T09:31:16,240   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz'
2025-08-31T09:31:16,241   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz'
2025-08-31T09:31:16,243   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz'
2025-08-31T09:31:16,244   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz'
2025-08-31T09:31:16,245   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz'
2025-08-31T09:31:16,246   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz'
2025-08-31T09:31:16,247   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz'
2025-08-31T09:31:16,249   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz'
2025-08-31T09:31:16,250   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz'
2025-08-31T09:31:16,251   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz'
2025-08-31T09:31:16,253   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz'
2025-08-31T09:31:16,254   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz'
2025-08-31T09:31:16,255   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz'
2025-08-31T09:31:16,256   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz'
2025-08-31T09:31:16,258   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz'
2025-08-31T09:31:16,259   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz'
2025-08-31T09:31:16,260   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz'
2025-08-31T09:31:16,262   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz'
2025-08-31T09:31:16,263   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz'
2025-08-31T09:31:16,264   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz'
2025-08-31T09:31:16,265   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz'
2025-08-31T09:31:16,267   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz'
2025-08-31T09:31:16,268   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz'
2025-08-31T09:31:16,269   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz'
2025-08-31T09:31:16,271   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz'
2025-08-31T09:31:16,272   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz'
2025-08-31T09:31:16,273   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz'
2025-08-31T09:31:16,275   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz'
2025-08-31T09:31:16,276   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz'
2025-08-31T09:31:16,277   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz'
2025-08-31T09:31:16,279   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz'
2025-08-31T09:31:16,280   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz'
2025-08-31T09:31:16,281   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz'
2025-08-31T09:31:16,283   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz'
2025-08-31T09:31:16,284   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz'
2025-08-31T09:31:16,285   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz'
2025-08-31T09:31:16,286   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz'
2025-08-31T09:31:16,288   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz'
2025-08-31T09:31:16,289   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz'
2025-08-31T09:31:16,290   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz'
2025-08-31T09:31:16,292   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz'
2025-08-31T09:31:16,293   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz'
2025-08-31T09:31:16,294   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz'
2025-08-31T09:31:16,295   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz'
2025-08-31T09:31:16,297   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz'
2025-08-31T09:31:16,298   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz'
2025-08-31T09:31:16,299   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz'
2025-08-31T09:31:16,300   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz'
2025-08-31T09:31:16,301   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz'
2025-08-31T09:31:16,303   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz'
2025-08-31T09:31:16,304   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz'
2025-08-31T09:31:16,305   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz'
2025-08-31T09:31:16,307   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz'
2025-08-31T09:31:16,308   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz'
2025-08-31T09:31:16,309   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz'
2025-08-31T09:31:16,310   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz'
2025-08-31T09:31:16,311   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz'
2025-08-31T09:31:16,313   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz'
2025-08-31T09:31:16,314   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz'
2025-08-31T09:31:16,315   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz'
2025-08-31T09:31:16,316   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz'
2025-08-31T09:31:16,318   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz'
2025-08-31T09:31:16,319   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz'
2025-08-31T09:31:16,320   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz'
2025-08-31T09:31:16,321   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz'
2025-08-31T09:31:16,323   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz'
2025-08-31T09:31:16,324   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz'
2025-08-31T09:31:16,325   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz'
2025-08-31T09:31:16,326   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz'
2025-08-31T09:31:16,328   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz'
2025-08-31T09:31:16,329   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz'
2025-08-31T09:31:16,330   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz'
2025-08-31T09:31:16,332   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz'
2025-08-31T09:31:16,333   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz'
2025-08-31T09:31:16,334   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz'
2025-08-31T09:31:16,336   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz'
2025-08-31T09:31:16,337   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz'
2025-08-31T09:31:16,338   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz'
2025-08-31T09:31:16,340   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz'
2025-08-31T09:31:16,341   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz'
2025-08-31T09:31:16,342   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz'
2025-08-31T09:31:16,343   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz'
2025-08-31T09:31:16,344   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz'
2025-08-31T09:31:16,346   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz'
2025-08-31T09:31:16,347   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz'
2025-08-31T09:31:16,348   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz'
2025-08-31T09:31:16,350   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz'
2025-08-31T09:31:16,351   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz'
2025-08-31T09:31:16,352   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz'
2025-08-31T09:31:16,353   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz'
2025-08-31T09:31:16,354   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz'
2025-08-31T09:31:16,355   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz'
2025-08-31T09:31:16,357   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz'
2025-08-31T09:31:16,358   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz'
2025-08-31T09:31:16,359   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz'
2025-08-31T09:31:16,360   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz'
2025-08-31T09:31:16,361   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz'
2025-08-31T09:31:16,363   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz'
2025-08-31T09:31:16,364   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz'
2025-08-31T09:31:16,365   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz'
2025-08-31T09:31:16,366   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz'
2025-08-31T09:31:16,367   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz'
2025-08-31T09:31:16,368   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz'
2025-08-31T09:31:16,370   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz'
2025-08-31T09:31:16,372   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz'
2025-08-31T09:31:16,373   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz'
2025-08-31T09:31:16,374   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz'
2025-08-31T09:31:16,376   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz'
2025-08-31T09:31:16,377   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz'
2025-08-31T09:31:16,378   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz'
2025-08-31T09:31:16,380   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz'
2025-08-31T09:31:16,381   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz'
2025-08-31T09:31:16,382   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz'
2025-08-31T09:31:16,383   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz'
2025-08-31T09:31:16,385   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz'
2025-08-31T09:31:16,386   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz'
2025-08-31T09:31:16,387   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz'
2025-08-31T09:31:16,389   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz'
2025-08-31T09:31:16,390   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz'
2025-08-31T09:31:16,391   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz'
2025-08-31T09:31:16,393   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz'
2025-08-31T09:31:16,394   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz'
2025-08-31T09:31:16,395   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz'
2025-08-31T09:31:16,396   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz'
2025-08-31T09:31:16,397   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz'
2025-08-31T09:31:16,398   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz'
2025-08-31T09:31:16,400   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz'
2025-08-31T09:31:16,401   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz'
2025-08-31T09:31:16,402   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz'
2025-08-31T09:31:16,403   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz'
2025-08-31T09:31:16,405   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz'
2025-08-31T09:31:16,406   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz'
2025-08-31T09:31:16,407   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz'
2025-08-31T09:31:16,408   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz'
2025-08-31T09:31:16,410   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz'
2025-08-31T09:31:16,411   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz'
2025-08-31T09:31:16,413   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz'
2025-08-31T09:31:16,414   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz'
2025-08-31T09:31:16,416   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz'
2025-08-31T09:31:16,417   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz'
2025-08-31T09:31:16,418   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz'
2025-08-31T09:31:16,419   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz'
2025-08-31T09:31:16,421   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz'
2025-08-31T09:31:16,422   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz'
2025-08-31T09:31:16,423   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz'
2025-08-31T09:31:16,425   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz'
2025-08-31T09:31:16,426   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz'
2025-08-31T09:31:16,427   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz'
2025-08-31T09:31:16,428   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz'
2025-08-31T09:31:16,430   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz'
2025-08-31T09:31:16,431   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz'
2025-08-31T09:31:16,432   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz'
2025-08-31T09:31:16,434   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz'
2025-08-31T09:31:16,435   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz'
2025-08-31T09:31:16,436   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz'
2025-08-31T09:31:16,437   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz'
2025-08-31T09:31:16,439   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz'
2025-08-31T09:31:16,440   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz'
2025-08-31T09:31:16,441   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz'
2025-08-31T09:31:16,443   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz'
2025-08-31T09:31:16,444   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz'
2025-08-31T09:31:16,445   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz'
2025-08-31T09:31:16,447   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz'
2025-08-31T09:31:16,448   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz'
2025-08-31T09:31:16,449   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz'
2025-08-31T09:31:16,450   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz'
2025-08-31T09:31:16,452   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz'
2025-08-31T09:31:16,454   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz'
2025-08-31T09:31:16,455   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz'
2025-08-31T09:31:16,456   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz'
2025-08-31T09:31:16,457   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz'
2025-08-31T09:31:16,458   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz'
2025-08-31T09:31:16,460   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz'
2025-08-31T09:31:16,461   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz'
2025-08-31T09:31:16,462   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz'
2025-08-31T09:31:16,464   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz'
2025-08-31T09:31:16,465   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz'
2025-08-31T09:31:16,466   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz'
2025-08-31T09:31:16,468   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz'
2025-08-31T09:31:16,469   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz'
2025-08-31T09:31:16,470   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz'
2025-08-31T09:31:16,472   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz'
2025-08-31T09:31:16,473   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz'
2025-08-31T09:31:16,474   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz'
2025-08-31T09:31:16,476   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz'
2025-08-31T09:31:16,478   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz'
2025-08-31T09:31:16,479   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz'
2025-08-31T09:31:16,481   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz'
2025-08-31T09:31:16,482   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz'
2025-08-31T09:31:16,483   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz'
2025-08-31T09:31:16,484   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz'
2025-08-31T09:31:16,486   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz'
2025-08-31T09:31:16,487   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz'
2025-08-31T09:31:16,488   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz'
2025-08-31T09:31:16,489   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz'
2025-08-31T09:31:16,491   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz'
2025-08-31T09:31:16,492   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz'
2025-08-31T09:31:16,493   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz'
2025-08-31T09:31:16,495   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz'
2025-08-31T09:31:16,496   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz'
2025-08-31T09:31:16,497   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz'
2025-08-31T09:31:16,498   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz'
2025-08-31T09:31:16,500   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz'
2025-08-31T09:31:16,501   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz'
2025-08-31T09:31:16,502   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz'
2025-08-31T09:31:16,503   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz'
2025-08-31T09:31:16,504   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz'
2025-08-31T09:31:16,506   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz'
2025-08-31T09:31:16,507   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz'
2025-08-31T09:31:16,508   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz'
2025-08-31T09:31:16,509   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz'
2025-08-31T09:31:16,510   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz'
2025-08-31T09:31:16,512   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz'
2025-08-31T09:31:16,513   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz'
2025-08-31T09:31:16,514   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz'
2025-08-31T09:31:16,515   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz'
2025-08-31T09:31:16,517   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz'
2025-08-31T09:31:16,518   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz'
2025-08-31T09:31:16,519   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz'
2025-08-31T09:31:16,520   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz'
2025-08-31T09:31:16,522   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz'
2025-08-31T09:31:16,523   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz'
2025-08-31T09:31:16,524   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz'
2025-08-31T09:31:16,526   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz'
2025-08-31T09:31:16,528   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz'
2025-08-31T09:31:16,529   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz'
2025-08-31T09:31:16,531   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz'
2025-08-31T09:31:16,532   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz'
2025-08-31T09:31:16,533   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz'
2025-08-31T09:31:16,534   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz'
2025-08-31T09:31:16,536   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz'
2025-08-31T09:31:16,537   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz'
2025-08-31T09:31:16,538   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz'
2025-08-31T09:31:16,540   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz'
2025-08-31T09:31:16,541   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz'
2025-08-31T09:31:16,542   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz'
2025-08-31T09:31:16,544   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz'
2025-08-31T09:31:16,545   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz'
2025-08-31T09:31:16,546   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz'
2025-08-31T09:31:16,547   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz'
2025-08-31T09:31:16,549   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz'
2025-08-31T09:31:16,550   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz'
2025-08-31T09:31:16,551   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz'
2025-08-31T09:31:16,553   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz'
2025-08-31T09:31:16,554   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz'
2025-08-31T09:31:16,555   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz'
2025-08-31T09:31:16,556   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz'
2025-08-31T09:31:16,557   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz'
2025-08-31T09:31:16,559   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz'
2025-08-31T09:31:16,560   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz'
2025-08-31T09:31:16,561   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz'
2025-08-31T09:31:16,562   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz'
2025-08-31T09:31:16,563   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz'
2025-08-31T09:31:16,565   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz'
2025-08-31T09:31:16,566   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz'
2025-08-31T09:31:16,567   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz'
2025-08-31T09:31:16,568   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz'
2025-08-31T09:31:16,570   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz'
2025-08-31T09:31:16,571   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz'
2025-08-31T09:31:16,572   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz'
2025-08-31T09:31:16,574   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz'
2025-08-31T09:31:16,575   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz'
2025-08-31T09:31:16,576   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz'
2025-08-31T09:31:16,579   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz'
2025-08-31T09:31:16,580   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz'
2025-08-31T09:31:16,581   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz'
2025-08-31T09:31:16,584   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz'
2025-08-31T09:31:16,584   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz'
2025-08-31T09:31:16,585   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz'
2025-08-31T09:31:16,587   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz'
2025-08-31T09:31:16,588   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz'
2025-08-31T09:31:16,589   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz'
2025-08-31T09:31:16,591   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz'
2025-08-31T09:31:16,592   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz'
2025-08-31T09:31:16,593   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz'
2025-08-31T09:31:16,594   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz'
2025-08-31T09:31:16,596   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz'
2025-08-31T09:31:16,597   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz'
2025-08-31T09:31:16,599   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz'
2025-08-31T09:31:16,600   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz'
2025-08-31T09:31:16,601   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz'
2025-08-31T09:31:16,603   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz'
2025-08-31T09:31:16,604   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz'
2025-08-31T09:31:16,605   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz'
2025-08-31T09:31:16,606   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz'
2025-08-31T09:31:16,607   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz'
2025-08-31T09:31:16,609   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz'
2025-08-31T09:31:16,610   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz'
2025-08-31T09:31:16,611   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz'
2025-08-31T09:31:16,612   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz'
2025-08-31T09:31:16,613   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz'
2025-08-31T09:31:16,615   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz'
2025-08-31T09:31:16,616   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz'
2025-08-31T09:31:16,617   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz'
2025-08-31T09:31:16,619   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz'
2025-08-31T09:31:16,620   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz'
2025-08-31T09:31:16,621   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz'
2025-08-31T09:31:16,622   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz'
2025-08-31T09:31:16,623   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz'
2025-08-31T09:31:16,625   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz'
2025-08-31T09:31:16,626   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz'
2025-08-31T09:31:16,627   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz'
2025-08-31T09:31:16,629   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz'
2025-08-31T09:31:16,630   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz'
2025-08-31T09:31:16,631   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz'
2025-08-31T09:31:16,632   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz'
2025-08-31T09:31:16,634   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz'
2025-08-31T09:31:16,635   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz'
2025-08-31T09:31:16,637   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz'
2025-08-31T09:31:16,638   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz'
2025-08-31T09:31:16,640   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz'
2025-08-31T09:31:16,641   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz'
2025-08-31T09:31:16,642   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz'
2025-08-31T09:31:16,643   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz'
2025-08-31T09:31:16,644   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz'
2025-08-31T09:31:16,645   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz'
2025-08-31T09:31:16,647   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz'
2025-08-31T09:31:16,648   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz'
2025-08-31T09:31:16,649   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz'
2025-08-31T09:31:16,651   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz'
2025-08-31T09:31:16,652   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz'
2025-08-31T09:31:16,653   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz'
2025-08-31T09:31:16,654   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz'
2025-08-31T09:31:16,655   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz'
2025-08-31T09:31:16,657   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz'
2025-08-31T09:31:16,658   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz'
2025-08-31T09:31:16,659   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz'
2025-08-31T09:31:16,660   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz'
2025-08-31T09:31:16,661   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz'
2025-08-31T09:31:16,662   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz'
2025-08-31T09:31:16,663   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz'
2025-08-31T09:31:16,664   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz'
2025-08-31T09:31:16,665   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz'
2025-08-31T09:31:16,666   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz'
2025-08-31T09:31:16,667   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz'
2025-08-31T09:31:16,672   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz'
2025-08-31T09:31:16,673   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz'
2025-08-31T09:31:16,674   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz'
2025-08-31T09:31:16,675   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz'
2025-08-31T09:31:16,676   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz'
2025-08-31T09:31:16,678   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz'
2025-08-31T09:31:16,679   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz'
2025-08-31T09:31:16,680   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz'
2025-08-31T09:31:16,681   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz'
2025-08-31T09:31:16,682   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz'
2025-08-31T09:31:16,683   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz'
2025-08-31T09:31:16,685   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz'
2025-08-31T09:31:16,686   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz'
2025-08-31T09:31:16,687   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz'
2025-08-31T09:31:16,688   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz'
2025-08-31T09:31:16,689   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz'
2025-08-31T09:31:16,691   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz'
2025-08-31T09:31:16,692   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz'
2025-08-31T09:31:16,693   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz'
2025-08-31T09:31:16,694   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz'
2025-08-31T09:31:16,695   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz'
2025-08-31T09:31:16,697   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz'
2025-08-31T09:31:16,698   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz'
2025-08-31T09:31:16,699   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz'
2025-08-31T09:31:16,700   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz'
2025-08-31T09:31:16,701   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz'
2025-08-31T09:31:16,702   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz'
2025-08-31T09:31:16,704   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz'
2025-08-31T09:31:16,705   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz'
2025-08-31T09:31:16,706   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz'
2025-08-31T09:31:16,707   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz'
2025-08-31T09:31:16,709   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz'
2025-08-31T09:31:16,710   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz'
2025-08-31T09:31:16,711   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz'
2025-08-31T09:31:16,712   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz'
2025-08-31T09:31:16,713   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz'
2025-08-31T09:31:16,714   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz'
2025-08-31T09:31:16,716   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz'
2025-08-31T09:31:16,717   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz'
2025-08-31T09:31:16,719   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz'
2025-08-31T09:31:16,721   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz'
2025-08-31T09:31:16,722   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz'
2025-08-31T09:31:16,723   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz'
2025-08-31T09:31:16,724   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz'
2025-08-31T09:31:16,726   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz'
2025-08-31T09:31:16,727   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz'
2025-08-31T09:31:16,728   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz'
2025-08-31T09:31:16,729   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz'
2025-08-31T09:31:16,731   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz'
2025-08-31T09:31:16,732   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz'
2025-08-31T09:31:16,733   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz'
2025-08-31T09:31:16,734   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz'
2025-08-31T09:31:16,735   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz'
2025-08-31T09:31:16,737   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz'
2025-08-31T09:31:16,738   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz'
2025-08-31T09:31:16,739   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz'
2025-08-31T09:31:16,740   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz'
2025-08-31T09:31:16,742   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz'
2025-08-31T09:31:16,743   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz'
2025-08-31T09:31:16,744   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz'
2025-08-31T09:31:16,745   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz'
2025-08-31T09:31:16,746   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz'
2025-08-31T09:31:16,747   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz'
2025-08-31T09:31:16,749   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz'
2025-08-31T09:31:16,750   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz'
2025-08-31T09:31:16,751   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz'
2025-08-31T09:31:16,752   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz'
2025-08-31T09:31:16,753   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz'
2025-08-31T09:31:16,755   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz'
2025-08-31T09:31:16,756   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz'
2025-08-31T09:31:16,757   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz'
2025-08-31T09:31:16,758   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz'
2025-08-31T09:31:16,760   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz'
2025-08-31T09:31:16,761   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz'
2025-08-31T09:31:16,762   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz'
2025-08-31T09:31:16,764   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz'
2025-08-31T09:31:16,765   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz'
2025-08-31T09:31:16,766   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz'
2025-08-31T09:31:16,767   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz'
2025-08-31T09:31:16,768   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz'
2025-08-31T09:31:16,769   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz'
2025-08-31T09:31:16,770   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz'
2025-08-31T09:31:16,772   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz'
2025-08-31T09:31:16,773   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz'
2025-08-31T09:31:16,774   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz'
2025-08-31T09:31:16,775   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz'
2025-08-31T09:31:16,776   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz'
2025-08-31T09:31:16,777   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz'
2025-08-31T09:31:16,779   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz'
2025-08-31T09:31:16,780   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz'
2025-08-31T09:31:16,781   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz'
2025-08-31T09:31:16,782   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz'
2025-08-31T09:31:16,783   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz'
2025-08-31T09:31:16,785   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz'
2025-08-31T09:31:16,786   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz'
2025-08-31T09:31:16,787   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz'
2025-08-31T09:31:16,788   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz'
2025-08-31T09:31:16,789   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz'
2025-08-31T09:31:16,790   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz'
2025-08-31T09:31:16,792   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz'
2025-08-31T09:31:16,793   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz'
2025-08-31T09:31:16,794   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz'
2025-08-31T09:31:16,795   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz'
2025-08-31T09:31:16,796   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz'
2025-08-31T09:31:16,798   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz'
2025-08-31T09:31:16,799   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz'
2025-08-31T09:31:16,800   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz'
2025-08-31T09:31:16,801   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz'
2025-08-31T09:31:16,802   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz'
2025-08-31T09:31:16,804   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz'
2025-08-31T09:31:16,805   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz'
2025-08-31T09:31:16,806   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz'
2025-08-31T09:31:16,807   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz'
2025-08-31T09:31:16,808   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz'
2025-08-31T09:31:16,810   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz'
2025-08-31T09:31:16,811   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz'
2025-08-31T09:31:16,812   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz'
2025-08-31T09:31:16,813   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz'
2025-08-31T09:31:16,814   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz'
2025-08-31T09:31:16,816   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz'
2025-08-31T09:31:16,817   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz'
2025-08-31T09:31:16,818   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz'
2025-08-31T09:31:16,820   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz'
2025-08-31T09:31:16,821   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz'
2025-08-31T09:31:16,822   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz'
2025-08-31T09:31:16,823   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz'
2025-08-31T09:31:16,824   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz'
2025-08-31T09:31:16,825   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz'
2025-08-31T09:31:16,826   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz'
2025-08-31T09:31:16,827   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz'
2025-08-31T09:31:16,829   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz'
2025-08-31T09:31:16,830   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz'
2025-08-31T09:31:16,831   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz'
2025-08-31T09:31:16,832   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz'
2025-08-31T09:31:16,833   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz'
2025-08-31T09:31:16,834   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz'
2025-08-31T09:31:16,836   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz'
2025-08-31T09:31:16,837   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz'
2025-08-31T09:31:16,838   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz'
2025-08-31T09:31:16,839   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz'
2025-08-31T09:31:16,840   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz'
2025-08-31T09:31:16,842   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz'
2025-08-31T09:31:16,843   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz'
2025-08-31T09:31:16,844   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz'
2025-08-31T09:31:16,845   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz'
2025-08-31T09:31:16,846   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz'
2025-08-31T09:31:16,847   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz'
2025-08-31T09:31:16,848   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz'
2025-08-31T09:31:16,850   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz'
2025-08-31T09:31:16,851   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz'
2025-08-31T09:31:16,852   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz'
2025-08-31T09:31:16,853   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz'
2025-08-31T09:31:16,855   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz'
2025-08-31T09:31:16,857   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz'
2025-08-31T09:31:16,858   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz'
2025-08-31T09:31:16,859   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz'
2025-08-31T09:31:16,860   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz'
2025-08-31T09:31:16,862   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz'
2025-08-31T09:31:16,863   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz'
2025-08-31T09:31:16,864   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz'
2025-08-31T09:31:16,865   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz'
2025-08-31T09:31:16,867   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz'
2025-08-31T09:31:16,868   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz'
2025-08-31T09:31:16,869   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz'
2025-08-31T09:31:16,870   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz'
2025-08-31T09:31:16,872   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz'
2025-08-31T09:31:16,873   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz'
2025-08-31T09:31:16,874   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz'
2025-08-31T09:31:16,875   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz'
2025-08-31T09:31:16,876   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz'
2025-08-31T09:31:16,877   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz'
2025-08-31T09:31:16,879   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz'
2025-08-31T09:31:16,880   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz'
2025-08-31T09:31:16,881   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz'
2025-08-31T09:31:16,882   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz'
2025-08-31T09:31:16,883   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz'
2025-08-31T09:31:16,885   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz'
2025-08-31T09:31:16,886   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz'
2025-08-31T09:31:16,888   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz'
2025-08-31T09:31:16,889   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz'
2025-08-31T09:31:16,891   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz'
2025-08-31T09:31:16,892   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz'
2025-08-31T09:31:16,893   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz'
2025-08-31T09:31:16,894   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz'
2025-08-31T09:31:16,895   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz'
2025-08-31T09:31:16,897   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz'
2025-08-31T09:31:16,898   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz'
2025-08-31T09:31:16,899   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz'
2025-08-31T09:31:16,900   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz'
2025-08-31T09:31:16,902   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz'
2025-08-31T09:31:16,903   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz'
2025-08-31T09:31:16,904   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz'
2025-08-31T09:31:16,905   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz'
2025-08-31T09:31:16,907   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz'
2025-08-31T09:31:16,908   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz'
2025-08-31T09:31:16,910   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz'
2025-08-31T09:31:16,911   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz'
2025-08-31T09:31:16,912   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz'
2025-08-31T09:31:16,913   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz'
2025-08-31T09:31:16,915   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz'
2025-08-31T09:31:16,916   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz'
2025-08-31T09:31:16,917   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz'
2025-08-31T09:31:16,918   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz'
2025-08-31T09:31:16,920   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz'
2025-08-31T09:31:16,921   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz'
2025-08-31T09:31:16,922   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,924   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,925   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,926   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,927   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,928   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,930   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz'
2025-08-31T09:31:16,931   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz'
2025-08-31T09:31:16,932   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz'
2025-08-31T09:31:16,933   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz'
2025-08-31T09:31:16,934   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz'
2025-08-31T09:31:16,936   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz'
2025-08-31T09:31:16,937   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz'
2025-08-31T09:31:16,938   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz'
2025-08-31T09:31:16,940   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz'
2025-08-31T09:31:16,941   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz'
2025-08-31T09:31:16,943   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,944   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,945   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,946   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,947   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,949   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz'
2025-08-31T09:31:16,950   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz'
2025-08-31T09:31:16,951   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz'
2025-08-31T09:31:16,952   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz'
2025-08-31T09:31:16,954   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz'
2025-08-31T09:31:16,955   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz'
2025-08-31T09:31:16,956   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz'
2025-08-31T09:31:16,960   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz'
2025-08-31T09:31:16,962   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz'
2025-08-31T09:31:16,963   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz'
2025-08-31T09:31:16,965   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz'
2025-08-31T09:31:16,966   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz'
2025-08-31T09:31:16,967   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz'
2025-08-31T09:31:16,969   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz'
2025-08-31T09:31:16,970   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz'
2025-08-31T09:31:16,972   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz'
2025-08-31T09:31:16,973   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz'
2025-08-31T09:31:16,975   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz'
2025-08-31T09:31:16,976   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz'
2025-08-31T09:31:16,978   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz'
2025-08-31T09:31:16,979   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz'
2025-08-31T09:31:16,980   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz'
2025-08-31T09:31:16,982   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz'
2025-08-31T09:31:16,983   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz'
2025-08-31T09:31:16,984   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz'
2025-08-31T09:31:16,985   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz'
2025-08-31T09:31:16,986   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz'
2025-08-31T09:31:16,988   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz'
2025-08-31T09:31:16,989   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz'
2025-08-31T09:31:16,990   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz'
2025-08-31T09:31:16,991   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz'
2025-08-31T09:31:16,993   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz'
2025-08-31T09:31:16,994   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz'
2025-08-31T09:31:16,995   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz'
2025-08-31T09:31:16,996   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz'
2025-08-31T09:31:16,998   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz'
2025-08-31T09:31:16,999   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz'
2025-08-31T09:31:17,001   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz'
2025-08-31T09:31:17,002   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz'
2025-08-31T09:31:17,003   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz'
2025-08-31T09:31:17,004   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz'
2025-08-31T09:31:17,005   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz'
2025-08-31T09:31:17,007   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz'
2025-08-31T09:31:17,008   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz'
2025-08-31T09:31:17,009   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz'
2025-08-31T09:31:17,010   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz'
2025-08-31T09:31:17,012   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz'
2025-08-31T09:31:17,013   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz'
2025-08-31T09:31:17,014   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz'
2025-08-31T09:31:17,016   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz'
2025-08-31T09:31:17,017   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz'
2025-08-31T09:31:17,018   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz'
2025-08-31T09:31:17,019   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz'
2025-08-31T09:31:17,021   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz'
2025-08-31T09:31:17,022   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz'
2025-08-31T09:31:17,024   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz'
2025-08-31T09:31:17,025   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz'
2025-08-31T09:31:17,026   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz'
2025-08-31T09:31:17,027   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz'
2025-08-31T09:31:17,029   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz'
2025-08-31T09:31:17,030   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz'
2025-08-31T09:31:17,031   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz'
2025-08-31T09:31:17,033   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz'
2025-08-31T09:31:17,034   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz'
2025-08-31T09:31:17,035   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz'
2025-08-31T09:31:17,037   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz'
2025-08-31T09:31:17,038   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz'
2025-08-31T09:31:17,039   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz'
2025-08-31T09:31:17,040   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz'
2025-08-31T09:31:17,042   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz'
2025-08-31T09:31:17,043   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz'
2025-08-31T09:31:17,044   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz'
2025-08-31T09:31:17,045   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz'
2025-08-31T09:31:17,046   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz'
2025-08-31T09:31:17,047   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz'
2025-08-31T09:31:17,049   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz'
2025-08-31T09:31:17,050   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz'
2025-08-31T09:31:17,051   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz'
2025-08-31T09:31:17,052   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz'
2025-08-31T09:31:17,053   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz'
2025-08-31T09:31:17,055   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz'
2025-08-31T09:31:17,056   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz'
2025-08-31T09:31:17,057   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz'
2025-08-31T09:31:17,058   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz'
2025-08-31T09:31:17,059   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz'
2025-08-31T09:31:17,061   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz'
2025-08-31T09:31:17,062   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz'
2025-08-31T09:31:17,063   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz'
2025-08-31T09:31:17,064   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz'
2025-08-31T09:31:17,066   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz'
2025-08-31T09:31:17,067   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz'
2025-08-31T09:31:17,068   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz'
2025-08-31T09:31:17,069   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz'
2025-08-31T09:31:17,071   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz'
2025-08-31T09:31:17,072   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz'
2025-08-31T09:31:17,073   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz'
2025-08-31T09:31:17,074   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz'
2025-08-31T09:31:17,075   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz'
2025-08-31T09:31:17,077   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz'
2025-08-31T09:31:17,078   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz'
2025-08-31T09:31:17,080   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz'
2025-08-31T09:31:17,081   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz'
2025-08-31T09:31:17,082   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz'
2025-08-31T09:31:17,084   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz'
2025-08-31T09:31:17,085   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz'
2025-08-31T09:31:17,086   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz'
2025-08-31T09:31:17,087   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz'
2025-08-31T09:31:17,088   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz'
2025-08-31T09:31:17,090   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz'
2025-08-31T09:31:17,091   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz'
2025-08-31T09:31:17,092   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz'
2025-08-31T09:31:17,093   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz'
2025-08-31T09:31:17,094   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz'
2025-08-31T09:31:17,095   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz'
2025-08-31T09:31:17,098   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz'
2025-08-31T09:31:17,099   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz'
2025-08-31T09:31:17,100   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz'
2025-08-31T09:31:17,101   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz'
2025-08-31T09:31:17,103   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz'
2025-08-31T09:31:17,104   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz'
2025-08-31T09:31:17,105   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz'
2025-08-31T09:31:17,107   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz'
2025-08-31T09:31:17,108   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz'
2025-08-31T09:31:17,109   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz'
2025-08-31T09:31:17,111   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz'
2025-08-31T09:31:17,112   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz'
2025-08-31T09:31:17,114   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz'
2025-08-31T09:31:17,115   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz'
2025-08-31T09:31:17,117   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz'
2025-08-31T09:31:17,118   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz'
2025-08-31T09:31:17,119   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz'
2025-08-31T09:31:17,121   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz'
2025-08-31T09:31:17,122   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz'
2025-08-31T09:31:17,124   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz'
2025-08-31T09:31:17,125   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz'
2025-08-31T09:31:17,126   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz'
2025-08-31T09:31:17,127   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz'
2025-08-31T09:31:17,129   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz'
2025-08-31T09:31:17,130   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz'
2025-08-31T09:31:17,131   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz'
2025-08-31T09:31:17,132   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz'
2025-08-31T09:31:17,134   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz'
2025-08-31T09:31:17,135   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz'
2025-08-31T09:31:17,136   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz'
2025-08-31T09:31:17,137   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz'
2025-08-31T09:31:17,138   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz'
2025-08-31T09:31:17,139   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz'
2025-08-31T09:31:17,140   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz'
2025-08-31T09:31:17,142   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz'
2025-08-31T09:31:17,153   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz'
2025-08-31T09:31:17,154   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz'
2025-08-31T09:31:17,156   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz'
2025-08-31T09:31:17,157   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,158   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz'
2025-08-31T09:31:17,159   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz'
2025-08-31T09:31:17,161   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz'
2025-08-31T09:31:17,162   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz'
2025-08-31T09:31:17,163   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz'
2025-08-31T09:31:17,165   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz'
2025-08-31T09:31:17,166   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,168   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz'
2025-08-31T09:31:17,169   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz'
2025-08-31T09:31:17,170   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz'
2025-08-31T09:31:17,172   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz'
2025-08-31T09:31:17,173   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz'
2025-08-31T09:31:17,174   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,176   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz'
2025-08-31T09:31:17,177   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz'
2025-08-31T09:31:17,179   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz'
2025-08-31T09:31:17,180   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,182   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz'
2025-08-31T09:31:17,183   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz'
2025-08-31T09:31:17,184   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz'
2025-08-31T09:31:17,186   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz'
2025-08-31T09:31:17,187   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz'
2025-08-31T09:31:17,189   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz'
2025-08-31T09:31:17,190   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz'
2025-08-31T09:31:17,191   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz'
2025-08-31T09:31:17,192   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz'
2025-08-31T09:31:17,194   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz'
2025-08-31T09:31:17,195   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,197   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz'
2025-08-31T09:31:17,198   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,199   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,200   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,202   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,203   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,204   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,205   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,207   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,208   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,209   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,210   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,212   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,213   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,214   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,215   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,217   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,218   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,219   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,221   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz'
2025-08-31T09:31:17,222   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz'
2025-08-31T09:31:17,223   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,225   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz'
2025-08-31T09:31:17,226   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz'
2025-08-31T09:31:17,227   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,229   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz'
2025-08-31T09:31:17,230   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz'
2025-08-31T09:31:17,231   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz'
2025-08-31T09:31:17,233   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz'
2025-08-31T09:31:17,234   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz'
2025-08-31T09:31:17,235   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz'
2025-08-31T09:31:17,237   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,238   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,239   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz'
2025-08-31T09:31:17,241   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz'
2025-08-31T09:31:17,242   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz'
2025-08-31T09:31:17,243   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,245   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz'
2025-08-31T09:31:17,246   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz'
2025-08-31T09:31:17,247   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz'
2025-08-31T09:31:17,248   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz'
2025-08-31T09:31:17,249   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz'
2025-08-31T09:31:17,251   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz'
2025-08-31T09:31:17,252   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,253   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,255   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz'
2025-08-31T09:31:17,256   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz'
2025-08-31T09:31:17,257   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz'
2025-08-31T09:31:17,258   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz'
2025-08-31T09:31:17,260   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz'
2025-08-31T09:31:17,261   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,262   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz'
2025-08-31T09:31:17,264   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz'
2025-08-31T09:31:17,265   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz'
2025-08-31T09:31:17,266   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,268   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz'
2025-08-31T09:31:17,269   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz'
2025-08-31T09:31:17,270   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz'
2025-08-31T09:31:17,272   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz'
2025-08-31T09:31:17,273   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz'
2025-08-31T09:31:17,274   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz'
2025-08-31T09:31:17,276   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz'
2025-08-31T09:31:17,277   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz'
2025-08-31T09:31:17,278   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz'
2025-08-31T09:31:17,280   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz'
2025-08-31T09:31:17,281   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,283   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz'
2025-08-31T09:31:17,284   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,285   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,287   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,288   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,290   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,291   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,292   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,293   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,295   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,296   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,297   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,299   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,300   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,301   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,303   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,304   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,306   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,307   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,308   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz'
2025-08-31T09:31:17,310   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz'
2025-08-31T09:31:17,311   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,312   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz'
2025-08-31T09:31:17,313   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz'
2025-08-31T09:31:17,315   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,316   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,317   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,318   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,320   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,321   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,322   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,323   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,325   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,326   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,327   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,329   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,330   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,331   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,333   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,334   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,335   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,337   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,338   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,339   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,341   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,342   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,343   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,344   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,346   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,347   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,348   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,349   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,350   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz'
2025-08-31T09:31:17,352   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz'
2025-08-31T09:31:17,353   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,354   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz'
2025-08-31T09:31:17,356   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz'
2025-08-31T09:31:17,357   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,358   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz'
2025-08-31T09:31:17,359   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz'
2025-08-31T09:31:17,361   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,362   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,363   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,364   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,366   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,367   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,368   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,370   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,371   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,372   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,374   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,375   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,376   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,378   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,379   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,380   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,382   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,383   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,384   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,385   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz'
2025-08-31T09:31:17,387   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz'
2025-08-31T09:31:17,388   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz'
2025-08-31T09:31:17,389   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz'
2025-08-31T09:31:17,391   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,392   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz'
2025-08-31T09:31:17,393   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz'
2025-08-31T09:31:17,394   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz'
2025-08-31T09:31:17,396   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,397   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,398   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,400   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,401   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,402   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,404   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,405   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,406   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,407   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,409   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,410   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,411   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,413   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,414   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,415   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,417   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,418   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,419   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,421   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz'
2025-08-31T09:31:17,422   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz'
2025-08-31T09:31:17,423   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz'
2025-08-31T09:31:17,425   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,426   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz'
2025-08-31T09:31:17,428   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,429   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz'
2025-08-31T09:31:17,430   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz'
2025-08-31T09:31:17,432   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz'
2025-08-31T09:31:17,433   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz'
2025-08-31T09:31:17,434   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz'
2025-08-31T09:31:17,436   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz'
2025-08-31T09:31:17,437   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,438   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,440   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,441   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,442   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,444   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,445   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,446   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,447   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,449   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,450   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,451   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,452   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,453   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,455   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,456   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,458   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,459   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,460   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,461   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz'
2025-08-31T09:31:17,463   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz'
2025-08-31T09:31:17,464   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz'
2025-08-31T09:31:17,465   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz'
2025-08-31T09:31:17,467   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,468   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,469   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz'
2025-08-31T09:31:17,471   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz'
2025-08-31T09:31:17,472   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz'
2025-08-31T09:31:17,473   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz'
2025-08-31T09:31:17,475   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz'
2025-08-31T09:31:17,476   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz'
2025-08-31T09:31:17,477   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz'
2025-08-31T09:31:17,479   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz'
2025-08-31T09:31:17,480   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz'
2025-08-31T09:31:17,481   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz'
2025-08-31T09:31:17,483   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,484   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz'
2025-08-31T09:31:17,485   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz'
2025-08-31T09:31:17,487   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz'
2025-08-31T09:31:17,488   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz'
2025-08-31T09:31:17,489   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz'
2025-08-31T09:31:17,491   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz'
2025-08-31T09:31:17,492   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz'
2025-08-31T09:31:17,493   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,495   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,496   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,497   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,498   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,500   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,501   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,502   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,503   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,504   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,506   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,507   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,508   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,510   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,511   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,512   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,513   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,515   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,516   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,517   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz'
2025-08-31T09:31:17,518   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz'
2025-08-31T09:31:17,520   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz'
2025-08-31T09:31:17,521   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz'
2025-08-31T09:31:17,522   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,524   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz'
2025-08-31T09:31:17,525   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,526   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz'
2025-08-31T09:31:17,528   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz'
2025-08-31T09:31:17,529   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz'
2025-08-31T09:31:17,530   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz'
2025-08-31T09:31:17,532   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz'
2025-08-31T09:31:17,533   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz'
2025-08-31T09:31:17,534   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz'
2025-08-31T09:31:17,536   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz'
2025-08-31T09:31:17,537   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz'
2025-08-31T09:31:17,538   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz'
2025-08-31T09:31:17,540   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,541   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz'
2025-08-31T09:31:17,542   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz'
2025-08-31T09:31:17,544   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz'
2025-08-31T09:31:17,545   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz'
2025-08-31T09:31:17,546   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz'
2025-08-31T09:31:17,547   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz'
2025-08-31T09:31:17,549   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz'
2025-08-31T09:31:17,550   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz'
2025-08-31T09:31:17,551   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz'
2025-08-31T09:31:17,552   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz'
2025-08-31T09:31:17,553   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,555   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz'
2025-08-31T09:31:17,556   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz'
2025-08-31T09:31:17,557   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz'
2025-08-31T09:31:17,559   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz'
2025-08-31T09:31:17,560   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz'
2025-08-31T09:31:17,561   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz'
2025-08-31T09:31:17,562   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz'
2025-08-31T09:31:17,564   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz'
2025-08-31T09:31:17,565   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz'
2025-08-31T09:31:17,566   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz'
2025-08-31T09:31:17,567   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,569   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz'
2025-08-31T09:31:17,570   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz'
2025-08-31T09:31:17,572   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz'
2025-08-31T09:31:17,573   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz'
2025-08-31T09:31:17,574   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,575   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,577   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,578   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,580   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,581   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,582   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz'
2025-08-31T09:31:17,584   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,585   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,586   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,588   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,589   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,590   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,592   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,593   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,595   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,596   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,598   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz'
2025-08-31T09:31:17,599   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,600   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz'
2025-08-31T09:31:17,601   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz'
2025-08-31T09:31:17,603   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz'
2025-08-31T09:31:17,604   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz'
2025-08-31T09:31:17,605   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,606   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz'
2025-08-31T09:31:17,608   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz'
2025-08-31T09:31:17,609   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz'
2025-08-31T09:31:17,610   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz'
2025-08-31T09:31:17,612   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz'
2025-08-31T09:31:17,613   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz'
2025-08-31T09:31:17,614   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz'
2025-08-31T09:31:17,615   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz'
2025-08-31T09:31:17,617   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz'
2025-08-31T09:31:17,618   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz'
2025-08-31T09:31:17,619   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz'
2025-08-31T09:31:17,621   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz'
2025-08-31T09:31:17,622   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz'
2025-08-31T09:31:17,623   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,624   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,626   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz'
2025-08-31T09:31:17,627   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,628   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,630   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,631   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,632   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,634   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,635   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,636   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,637   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,639   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,640   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,641   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,643   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,644   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,645   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,647   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,648   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,649   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz'
2025-08-31T09:31:17,650   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz'
2025-08-31T09:31:17,651   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz'
2025-08-31T09:31:17,653   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz'
2025-08-31T09:31:17,654   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz'
2025-08-31T09:31:17,655   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,656   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz'
2025-08-31T09:31:17,658   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz'
2025-08-31T09:31:17,659   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz'
2025-08-31T09:31:17,660   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz'
2025-08-31T09:31:17,661   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,663   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,664   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,665   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,666   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,668   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz'
2025-08-31T09:31:17,669   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,670   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,671   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,673   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,674   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,675   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,677   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,678   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,679   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,681   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,682   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz'
2025-08-31T09:31:17,683   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,685   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,686   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz'
2025-08-31T09:31:17,687   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz'
2025-08-31T09:31:17,689   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz'
2025-08-31T09:31:17,690   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz'
2025-08-31T09:31:17,691   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,693   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz'
2025-08-31T09:31:17,694   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz'
2025-08-31T09:31:17,695   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz'
2025-08-31T09:31:17,697   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz'
2025-08-31T09:31:17,698   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,699   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz'
2025-08-31T09:31:17,701   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz'
2025-08-31T09:31:17,702   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz'
2025-08-31T09:31:17,703   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz'
2025-08-31T09:31:17,704   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz'
2025-08-31T09:31:17,705   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz'
2025-08-31T09:31:17,707   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,708   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz'
2025-08-31T09:31:17,709   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz'
2025-08-31T09:31:17,711   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz'
2025-08-31T09:31:17,712   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz'
2025-08-31T09:31:17,713   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz'
2025-08-31T09:31:17,715   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz'
2025-08-31T09:31:17,716   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz'
2025-08-31T09:31:17,717   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz'
2025-08-31T09:31:17,719   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz'
2025-08-31T09:31:17,720   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz'
2025-08-31T09:31:17,721   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz'
2025-08-31T09:31:17,723   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,724   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,726   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz'
2025-08-31T09:31:17,727   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,728   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,730   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,731   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,732   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,734   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,735   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,736   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,738   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,739   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,741   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz'
2025-08-31T09:31:17,742   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,743   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,745   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,746   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz'
2025-08-31T09:31:17,747   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz'
2025-08-31T09:31:17,749   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,750   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,751   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,752   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,753   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,755   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz'
2025-08-31T09:31:17,756   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,757   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,759   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,760   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,761   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,763   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,764   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,765   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz'
2025-08-31T09:31:17,766   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz'
2025-08-31T09:31:17,768   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz'
2025-08-31T09:31:17,769   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz'
2025-08-31T09:31:17,770   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz'
2025-08-31T09:31:17,772   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz'
2025-08-31T09:31:17,773   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz'
2025-08-31T09:31:17,774   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz'
2025-08-31T09:31:17,776   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz'
2025-08-31T09:31:17,777   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz'
2025-08-31T09:31:17,778   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz'
2025-08-31T09:31:17,780   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz'
2025-08-31T09:31:17,781   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz'
2025-08-31T09:31:17,782   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz'
2025-08-31T09:31:17,784   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz'
2025-08-31T09:31:17,785   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz'
2025-08-31T09:31:17,786   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz'
2025-08-31T09:31:17,788   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz'
2025-08-31T09:31:17,789   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz'
2025-08-31T09:31:17,791   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz'
2025-08-31T09:31:17,792   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz'
2025-08-31T09:31:17,793   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz'
2025-08-31T09:31:17,795   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz'
2025-08-31T09:31:17,796   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz'
2025-08-31T09:31:17,797   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz'
2025-08-31T09:31:17,799   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz'
2025-08-31T09:31:17,800   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz'
2025-08-31T09:31:17,802   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz'
2025-08-31T09:31:17,803   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz'
2025-08-31T09:31:17,804   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz'
2025-08-31T09:31:17,805   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz'
2025-08-31T09:31:17,807   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz'
2025-08-31T09:31:17,808   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz'
2025-08-31T09:31:17,809   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz'
2025-08-31T09:31:17,810   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz'
2025-08-31T09:31:17,812   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz'
2025-08-31T09:31:17,813   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz'
2025-08-31T09:31:17,815   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz'
2025-08-31T09:31:17,816   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,817   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz'
2025-08-31T09:31:17,818   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz'
2025-08-31T09:31:17,820   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz'
2025-08-31T09:31:17,821   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz'
2025-08-31T09:31:17,822   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz'
2025-08-31T09:31:17,824   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz'
2025-08-31T09:31:17,825   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz'
2025-08-31T09:31:17,826   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz'
2025-08-31T09:31:17,827   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz'
2025-08-31T09:31:17,829   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz'
2025-08-31T09:31:17,830   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz'
2025-08-31T09:31:17,831   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz'
2025-08-31T09:31:17,833   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz'
2025-08-31T09:31:17,835   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz'
2025-08-31T09:31:17,836   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz'
2025-08-31T09:31:17,837   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz'
2025-08-31T09:31:17,838   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz'
2025-08-31T09:31:17,840   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz'
2025-08-31T09:31:17,841   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz'
2025-08-31T09:31:17,842   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz'
2025-08-31T09:31:17,853   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz'
2025-08-31T09:31:17,854   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz'
2025-08-31T09:31:17,855   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz'
2025-08-31T09:31:17,857   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz'
2025-08-31T09:31:17,858   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz'
2025-08-31T09:31:17,859   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz'
2025-08-31T09:31:17,861   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz'
2025-08-31T09:31:17,862   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz'
2025-08-31T09:31:17,863   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz'
2025-08-31T09:31:17,864   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz'
2025-08-31T09:31:17,866   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz'
2025-08-31T09:31:17,867   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz'
2025-08-31T09:31:17,868   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz'
2025-08-31T09:31:17,869   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz'
2025-08-31T09:31:17,870   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz'
2025-08-31T09:31:17,871   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz'
2025-08-31T09:31:17,873   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz'
2025-08-31T09:31:17,874   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz'
2025-08-31T09:31:17,875   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz'
2025-08-31T09:31:17,876   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz'
2025-08-31T09:31:17,878   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz'
2025-08-31T09:31:17,879   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:31:17,880   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:31:17,881   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:31:17,882   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:31:17,884   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:31:17,885   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:31:17,886   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:31:17,887   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:31:17,888   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:31:17,890   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:31:17,891   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:31:17,892   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:31:17,893   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:31:17,895   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:31:17,896   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz'
2025-08-31T09:31:17,897   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz'
2025-08-31T09:31:17,898   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz'
2025-08-31T09:31:17,900   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz'
2025-08-31T09:31:17,901   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz'
2025-08-31T09:31:17,902   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz'
2025-08-31T09:31:17,903   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz'
2025-08-31T09:31:17,905   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:31:17,906   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:31:17,907   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:31:17,908   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:31:17,910   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:31:17,911   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:31:17,912   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:31:17,913   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:31:17,914   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:31:17,916   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:31:17,917   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:31:17,919   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:31:17,921   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:31:17,922   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:31:17,923   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz'
2025-08-31T09:31:17,925   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz'
2025-08-31T09:31:17,926   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz'
2025-08-31T09:31:17,927   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz'
2025-08-31T09:31:17,928   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz'
2025-08-31T09:31:17,929   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz'
2025-08-31T09:31:17,931   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz'
2025-08-31T09:31:17,932   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:31:17,933   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:31:17,935   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:31:17,936   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:31:17,937   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:31:17,938   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:31:17,940   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:31:17,941   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:31:17,942   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:31:17,944   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:31:17,945   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:31:17,946   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:31:17,947   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:31:17,949   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:31:17,950   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz'
2025-08-31T09:31:17,951   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz'
2025-08-31T09:31:17,953   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz'
2025-08-31T09:31:17,954   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz'
2025-08-31T09:31:17,955   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz'
2025-08-31T09:31:17,956   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz'
2025-08-31T09:31:17,958   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz'
2025-08-31T09:31:17,959   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:31:17,960   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:31:17,961   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:31:17,963   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz'
2025-08-31T09:31:17,964   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz'
2025-08-31T09:31:17,965   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz'
2025-08-31T09:31:17,966   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz'
2025-08-31T09:31:17,967   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:31:17,968   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:31:17,969   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:31:17,971   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz'
2025-08-31T09:31:17,972   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz'
2025-08-31T09:31:17,973   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz'
2025-08-31T09:31:17,974   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz'
2025-08-31T09:31:17,976   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz'
2025-08-31T09:31:17,977   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz'
2025-08-31T09:31:17,978   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz'
2025-08-31T09:31:17,979   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz'
2025-08-31T09:31:17,980   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz'
2025-08-31T09:31:17,982   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz'
2025-08-31T09:31:17,983   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz'
2025-08-31T09:31:17,984   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:17,985   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:17,987   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:17,988   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:31:17,989   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:31:17,991   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:31:17,992   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:31:17,993   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:17,994   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:17,996   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:17,997   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:31:17,998   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:31:17,999   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:31:18,001   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:31:18,002   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:18,003   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:18,005   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:18,006   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz'
2025-08-31T09:31:18,007   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz'
2025-08-31T09:31:18,008   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz'
2025-08-31T09:31:18,010   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz'
2025-08-31T09:31:18,011   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:18,012   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:18,013   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:18,014   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:31:18,015   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:31:18,017   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:31:18,018   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:31:18,019   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:18,020   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:18,021   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:18,023   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:31:18,024   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:31:18,025   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:31:18,027   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:31:18,028   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:18,029   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:18,030   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:18,031   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz'
2025-08-31T09:31:18,033   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz'
2025-08-31T09:31:18,034   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz'
2025-08-31T09:31:18,035   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz'
2025-08-31T09:31:18,036   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:31:18,038   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:31:18,039   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:31:18,040   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:31:18,042   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:31:18,043   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:31:18,044   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:31:18,046   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:31:18,047   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:31:18,048   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:31:18,049   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:31:18,050   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:31:18,052   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:31:18,053   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:31:18,054   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz'
2025-08-31T09:31:18,056   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz'
2025-08-31T09:31:18,057   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz'
2025-08-31T09:31:18,058   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz'
2025-08-31T09:31:18,059   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz'
2025-08-31T09:31:18,060   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz'
2025-08-31T09:31:18,062   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz'
2025-08-31T09:31:18,063   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:18,064   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:18,065   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:18,066   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz'
2025-08-31T09:31:18,068   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz'
2025-08-31T09:31:18,069   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz'
2025-08-31T09:31:18,070   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz'
2025-08-31T09:31:18,071   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:18,073   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:18,074   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:18,075   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz'
2025-08-31T09:31:18,076   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz'
2025-08-31T09:31:18,077   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz'
2025-08-31T09:31:18,079   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz'
2025-08-31T09:31:18,080   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:18,081   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:18,083   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:18,084   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz'
2025-08-31T09:31:18,085   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz'
2025-08-31T09:31:18,086   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz'
2025-08-31T09:31:18,088   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz'
2025-08-31T09:31:18,089   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:31:18,090   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:31:18,092   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:31:18,093   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz'
2025-08-31T09:31:18,094   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz'
2025-08-31T09:31:18,095   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz'
2025-08-31T09:31:18,097   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz'
2025-08-31T09:31:18,098   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:31:18,099   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:31:18,101   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:31:18,102   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz'
2025-08-31T09:31:18,103   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz'
2025-08-31T09:31:18,104   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz'
2025-08-31T09:31:18,106   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz'
2025-08-31T09:31:18,107   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz'
2025-08-31T09:31:18,108   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz'
2025-08-31T09:31:18,109   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz'
2025-08-31T09:31:18,110   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz'
2025-08-31T09:31:18,112   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz'
2025-08-31T09:31:18,113   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz'
2025-08-31T09:31:18,114   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz'
2025-08-31T09:31:18,115   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:31:18,116   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:31:18,118   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:31:18,119   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz'
2025-08-31T09:31:18,120   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz'
2025-08-31T09:31:18,121   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz'
2025-08-31T09:31:18,123   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz'
2025-08-31T09:31:18,124   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:31:18,125   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:31:18,126   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:31:18,128   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz'
2025-08-31T09:31:18,129   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz'
2025-08-31T09:31:18,130   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz'
2025-08-31T09:31:18,131   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz'
2025-08-31T09:31:18,133   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz'
2025-08-31T09:31:18,134   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz'
2025-08-31T09:31:18,135   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz'
2025-08-31T09:31:18,137   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz'
2025-08-31T09:31:18,138   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz'
2025-08-31T09:31:18,139   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz'
2025-08-31T09:31:18,141   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz'
2025-08-31T09:31:18,142   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:31:18,143   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:31:18,144   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:31:18,146   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz'
2025-08-31T09:31:18,147   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz'
2025-08-31T09:31:18,148   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz'
2025-08-31T09:31:18,150   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz'
2025-08-31T09:31:18,151   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:31:18,152   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:31:18,153   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:31:18,155   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz'
2025-08-31T09:31:18,156   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz'
2025-08-31T09:31:18,157   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz'
2025-08-31T09:31:18,158   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz'
2025-08-31T09:31:18,159   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz'
2025-08-31T09:31:18,161   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz'
2025-08-31T09:31:18,162   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz'
2025-08-31T09:31:18,163   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz'
2025-08-31T09:31:18,164   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz'
2025-08-31T09:31:18,165   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz'
2025-08-31T09:31:18,166   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz'
2025-08-31T09:31:18,168   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz'
2025-08-31T09:31:18,169   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz'
2025-08-31T09:31:18,170   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz'
2025-08-31T09:31:18,172   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz'
2025-08-31T09:31:18,173   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz'
2025-08-31T09:31:18,174   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz'
2025-08-31T09:31:18,175   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz'
2025-08-31T09:31:18,176   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz'
2025-08-31T09:31:18,178   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz'
2025-08-31T09:31:18,179   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz'
2025-08-31T09:31:18,180   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz'
2025-08-31T09:31:18,181   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz'
2025-08-31T09:31:18,183   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz'
2025-08-31T09:31:18,184   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz'
2025-08-31T09:31:18,185   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz'
2025-08-31T09:31:18,186   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz'
2025-08-31T09:31:18,188   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz'
2025-08-31T09:31:18,189   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz'
2025-08-31T09:31:18,190   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz'
2025-08-31T09:31:18,191   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz'
2025-08-31T09:31:18,193   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz'
2025-08-31T09:31:18,194   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:18,195   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:18,197   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:18,198   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:31:18,199   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:31:18,200   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:31:18,202   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:31:18,203   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:18,204   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:18,206   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:18,207   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:31:18,208   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:31:18,209   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:31:18,210   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:31:18,212   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz'
2025-08-31T09:31:18,213   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz'
2025-08-31T09:31:18,214   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz'
2025-08-31T09:31:18,215   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz'
2025-08-31T09:31:18,217   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz'
2025-08-31T09:31:18,218   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz'
2025-08-31T09:31:18,219   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz'
2025-08-31T09:31:18,221   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:31:18,222   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:31:18,223   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:31:18,224   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:31:18,226   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:31:18,227   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:31:18,228   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:31:18,230   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:31:18,231   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:31:18,232   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:31:18,233   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:31:18,235   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:31:18,236   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:31:18,237   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:31:18,239   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz'
2025-08-31T09:31:18,240   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz'
2025-08-31T09:31:18,241   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz'
2025-08-31T09:31:18,243   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz'
2025-08-31T09:31:18,244   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz'
2025-08-31T09:31:18,245   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz'
2025-08-31T09:31:18,246   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz'
2025-08-31T09:31:18,248   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:31:18,249   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:31:18,250   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:31:18,252   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:31:18,253   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:31:18,254   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:31:18,256   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:31:18,257   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:31:18,258   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:31:18,259   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:31:18,261   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:31:18,262   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:31:18,263   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:31:18,264   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:31:18,266   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz'
2025-08-31T09:31:18,267   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz'
2025-08-31T09:31:18,268   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz'
2025-08-31T09:31:18,269   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz'
2025-08-31T09:31:18,271   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz'
2025-08-31T09:31:18,272   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz'
2025-08-31T09:31:18,273   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz'
2025-08-31T09:31:18,274   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:31:18,276   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:31:18,277   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:31:18,278   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:31:18,280   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:31:18,281   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:31:18,282   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:31:18,284   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:31:18,285   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:31:18,286   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:31:18,288   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:31:18,289   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:31:18,290   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:31:18,292   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:31:18,293   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz'
2025-08-31T09:31:18,294   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz'
2025-08-31T09:31:18,296   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz'
2025-08-31T09:31:18,297   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz'
2025-08-31T09:31:18,298   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz'
2025-08-31T09:31:18,300   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz'
2025-08-31T09:31:18,301   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz'
2025-08-31T09:31:18,302   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:31:18,304   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:31:18,305   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:31:18,306   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:31:18,307   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:31:18,308   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:31:18,309   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:31:18,311   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:31:18,312   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:31:18,313   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:31:18,314   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:31:18,316   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:31:18,317   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:31:18,318   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:31:18,320   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz'
2025-08-31T09:31:18,321   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz'
2025-08-31T09:31:18,322   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz'
2025-08-31T09:31:18,324   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz'
2025-08-31T09:31:18,325   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz'
2025-08-31T09:31:18,326   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz'
2025-08-31T09:31:18,327   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz'
2025-08-31T09:31:18,329   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz'
2025-08-31T09:31:18,330   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz'
2025-08-31T09:31:18,331   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz'
2025-08-31T09:31:18,333   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz'
2025-08-31T09:31:18,334   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz'
2025-08-31T09:31:18,335   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz'
2025-08-31T09:31:18,336   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz'
2025-08-31T09:31:18,338   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz'
2025-08-31T09:31:18,339   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz'
2025-08-31T09:31:18,340   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz'
2025-08-31T09:31:18,342   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz'
2025-08-31T09:31:18,343   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz'
2025-08-31T09:31:18,344   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz'
2025-08-31T09:31:18,345   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz'
2025-08-31T09:31:18,347   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz'
2025-08-31T09:31:18,348   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz'
2025-08-31T09:31:18,349   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz'
2025-08-31T09:31:18,351   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz'
2025-08-31T09:31:18,352   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz'
2025-08-31T09:31:18,354   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz'
2025-08-31T09:31:18,355   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz'
2025-08-31T09:31:18,357   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:18,358   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:18,359   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:18,361   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:31:18,362   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:31:18,363   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:31:18,365   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:31:18,366   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:18,368   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:18,369   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:18,371   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:31:18,373   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:31:18,374   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:31:18,376   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:31:18,378   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz'
2025-08-31T09:31:18,379   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz'
2025-08-31T09:31:18,381   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz'
2025-08-31T09:31:18,382   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz'
2025-08-31T09:31:18,384   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz'
2025-08-31T09:31:18,385   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz'
2025-08-31T09:31:18,386   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz'
2025-08-31T09:31:18,388   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:31:18,389   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:31:18,390   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:31:18,392   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:31:18,393   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:31:18,394   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:31:18,396   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:31:18,397   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:31:18,399   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:31:18,400   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:31:18,401   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:31:18,403   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:31:18,404   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:31:18,405   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:31:18,407   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz'
2025-08-31T09:31:18,408   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz'
2025-08-31T09:31:18,409   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz'
2025-08-31T09:31:18,410   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz'
2025-08-31T09:31:18,411   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz'
2025-08-31T09:31:18,413   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz'
2025-08-31T09:31:18,414   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz'
2025-08-31T09:31:18,415   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz'
2025-08-31T09:31:18,416   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz'
2025-08-31T09:31:18,418   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz'
2025-08-31T09:31:18,419   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz'
2025-08-31T09:31:18,420   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz'
2025-08-31T09:31:18,421   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz'
2025-08-31T09:31:18,423   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz'
2025-08-31T09:31:18,424   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz'
2025-08-31T09:31:18,425   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz'
2025-08-31T09:31:18,426   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz'
2025-08-31T09:31:18,428   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz'
2025-08-31T09:31:18,429   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz'
2025-08-31T09:31:18,430   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz'
2025-08-31T09:31:18,431   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz'
2025-08-31T09:31:18,433   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz'
2025-08-31T09:31:18,434   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz'
2025-08-31T09:31:18,435   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz'
2025-08-31T09:31:18,437   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz'
2025-08-31T09:31:18,438   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz'
2025-08-31T09:31:18,439   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz'
2025-08-31T09:31:18,441   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz'
2025-08-31T09:31:18,443   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:31:18,444   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:31:18,445   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:31:18,447   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:31:18,448   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:31:18,449   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:31:18,451   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:31:18,452   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:31:18,453   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:31:18,454   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:31:18,456   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:31:18,457   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:31:18,458   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:31:18,460   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:31:18,461   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz'
2025-08-31T09:31:18,462   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz'
2025-08-31T09:31:18,463   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz'
2025-08-31T09:31:18,464   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz'
2025-08-31T09:31:18,466   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz'
2025-08-31T09:31:18,467   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz'
2025-08-31T09:31:18,468   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz'
2025-08-31T09:31:18,471   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat'
2025-08-31T09:31:18,474   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat'
2025-08-31T09:31:18,476   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat'
2025-08-31T09:31:18,479   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat'
2025-08-31T09:31:18,481   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat'
2025-08-31T09:31:18,482   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat'
2025-08-31T09:31:18,483   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat'
2025-08-31T09:31:18,485   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat'
2025-08-31T09:31:18,486   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat'
2025-08-31T09:31:18,487   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat'
2025-08-31T09:31:18,488   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat'
2025-08-31T09:31:18,490   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat'
2025-08-31T09:31:18,491   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat'
2025-08-31T09:31:18,493   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat'
2025-08-31T09:31:18,494   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat'
2025-08-31T09:31:18,495   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat'
2025-08-31T09:31:18,497   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat'
2025-08-31T09:31:18,499   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat'
2025-08-31T09:31:18,501   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat'
2025-08-31T09:31:18,502   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat'
2025-08-31T09:31:18,503   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat'
2025-08-31T09:31:18,505   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat'
2025-08-31T09:31:18,506   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat'
2025-08-31T09:31:18,507   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat'
2025-08-31T09:31:18,509   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat'
2025-08-31T09:31:18,510   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat'
2025-08-31T09:31:18,512   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat'
2025-08-31T09:31:18,513   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat'
2025-08-31T09:31:18,514   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat'
2025-08-31T09:31:18,515   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat'
2025-08-31T09:31:18,517   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat'
2025-08-31T09:31:18,518   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat'
2025-08-31T09:31:18,520   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat'
2025-08-31T09:31:18,521   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat'
2025-08-31T09:31:18,522   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat'
2025-08-31T09:31:18,524   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat'
2025-08-31T09:31:18,525   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat'
2025-08-31T09:31:18,527   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat'
2025-08-31T09:31:18,534   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat'
2025-08-31T09:31:18,536   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat'
2025-08-31T09:31:18,537   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat'
2025-08-31T09:31:18,539   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat'
2025-08-31T09:31:18,540   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat'
2025-08-31T09:31:18,541   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat'
2025-08-31T09:31:18,542   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat'
2025-08-31T09:31:18,544   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat'
2025-08-31T09:31:18,545   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat'
2025-08-31T09:31:18,546   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat'
2025-08-31T09:31:18,547   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat'
2025-08-31T09:31:18,549   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat'
2025-08-31T09:31:18,550   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat'
2025-08-31T09:31:18,553   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat'
2025-08-31T09:31:18,554   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat'
2025-08-31T09:31:18,555   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat'
2025-08-31T09:31:18,556   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat'
2025-08-31T09:31:18,558   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat'
2025-08-31T09:31:18,559   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat'
2025-08-31T09:31:18,560   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat'
2025-08-31T09:31:18,561   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat'
2025-08-31T09:31:18,562   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat'
2025-08-31T09:31:18,568   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat'
2025-08-31T09:31:18,570   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat'
2025-08-31T09:31:18,576   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat'
2025-08-31T09:31:18,578   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat'
2025-08-31T09:31:18,579   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat'
2025-08-31T09:31:18,581   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat'
2025-08-31T09:31:18,582   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat'
2025-08-31T09:31:18,583   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat'
2025-08-31T09:31:18,585   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat'
2025-08-31T09:31:18,586   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat'
2025-08-31T09:31:18,588   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat'
2025-08-31T09:31:18,590   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat'
2025-08-31T09:31:18,591   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat'
2025-08-31T09:31:18,592   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat'
2025-08-31T09:31:18,593   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat'
2025-08-31T09:31:18,595   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat'
2025-08-31T09:31:18,596   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat'
2025-08-31T09:31:18,601   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat'
2025-08-31T09:31:18,605   adding 'xcbm-0.1.5.dist-info/licenses/LICENSE'
2025-08-31T09:31:18,606   adding 'xcbm-0.1.5.dist-info/METADATA'
2025-08-31T09:31:18,607   adding 'xcbm-0.1.5.dist-info/WHEEL'
2025-08-31T09:31:18,608   adding 'xcbm-0.1.5.dist-info/top_level.txt'
2025-08-31T09:31:18,907   adding 'xcbm-0.1.5.dist-info/RECORD'
2025-08-31T09:31:19,266   removing build/bdist.linux-armv7l/wheel
2025-08-31T09:31:30,159   Building wheel for xcbm (pyproject.toml): finished with status 'done'
2025-08-31T09:31:30,357   Created wheel for xcbm: filename=xcbm-0.1.5-py3-none-any.whl size=8689210 sha256=0c423a4077cd467f44e20d2c8ec5511904d87a3fc941d118ff954c71578f6667
2025-08-31T09:31:30,358   Stored in directory: /tmp/pip-ephem-wheel-cache-jn00b2mf/wheels/43/15/e6/2ac3eb92411ac1f268ba83c6b804553d4427d69044c3cf00c2
2025-08-31T09:31:30,908 Successfully built xcbm
2025-08-31T09:31:31,082 Removed build tracker: '/tmp/pip-build-tracker-3dilko_p'